56469-10-4|5-(2-Methyloctan-2-yl)benzene-1,3-diol| Ambeed

Structure of 56469-10-4

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size	Price	VIP Price	US Stock	Global Stock	In Stock
{[ item.pr_size ]}		Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

{[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

Quality Control of [ 56469-10-4 ] Purity: 98% SDS Specification

COA

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

NMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

CNMR

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

HPLC

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

LC-MS

Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.

1-2 Day Shipping
High Quality
Technical Support

Product Details of [ 56469-10-4 ]

CAS No. :	56469-10-4
Formula :	C₁₅H₂₄O₂
M.W :	236.35
SMILES Code :	OC1=CC(C(C)(C)CCCCCC)=CC(O)=C1
MDL No. :	MFCD03001733
InChI Key :	GWBGUJWRDDDVBI-UHFFFAOYSA-N
Pubchem ID :	91870

Safety of [ 56469-10-4 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Computational Chemistry of [ 56469-10-4 ] Show Less

Physicochemical Properties

Num. heavy atoms	17
Num. arom. heavy atoms	6
Fraction Csp3	0.6
Num. rotatable bonds	6
Num. H-bond acceptors	2.0
Num. H-bond donors	2.0
Molar Refractivity	73.79
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	40.46 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	2.88
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	5.59
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	4.35
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	3.46
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	3.94
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	4.04

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-4.69
Solubility	0.0048 mg/ml ; 0.0000203 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-6.2
Solubility	0.000149 mg/ml ; 0.000000629 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Poorly soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-4.49
Solubility	0.00768 mg/ml ; 0.0000325 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	Yes
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	Yes
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	No
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	No
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	Yes
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-3.77 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	0.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<2.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	1.93

Application In Synthesis of [ 56469-10-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 56469-10-4 ]

[ 56469-10-4 ] Synthesis Path-Downstream 1~35

1
[ 60526-81-0 ]
[ 56469-10-4 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium hydroxide; boron tribromide; In dichloromethane; water;	EXAMPLE 4 5-(1,1-dimethylheptyl)resorcinol To a cold stirred solution of 62.5 g. of boron tribromide in 200 ml. of dichloromethane was added dropwise over one hour a solution of 26.4 g. of 1-(1,1-dimethylheptyl)-3,5-dimethoxybenzene from Example 3 dissolved in 100 ml. of dichloromethane. The reaction mixture was stirred at 0 C. for 2 hours, and then allowed to warm to room temperature, and then stirred for additional 12 hours. After cooling the reaction mixture again to 0 C., it was added slowly to 200 ml. of water. The organic layer was then separated, and the product was extracted therefrom into 2N sodium hydroxide solution. The aqueous alkaline solution was then acidified by the addition of 1N hydrochloric acid. The aqueous acid solution was then extracted several times with diethyl ether. The ethereal extracts were combined, washed with aqueous sodium chloride solution, and dried. The solvent was removed by evaporation under reduced pressure to afford 20.2 g. of 5-(1,1-dimethylheptyl)resorcinol. M.P. 97-99 C. nmr (CDCl3): delta 6.35 (d, 2H, aromatic) delta 6.15 (t, 1H, aromatic) delta 5.20 (broad s, 2H, OH) delta 1.20 (s, 6H, C(CH3)2) delta 1.8-0.5 (m, 13H, alkyl)
	With pyridine hydrochloride; In water;	EXAMPLE 5 5-(1,1-dimethylheptyl)resorcinol A mixture of 21.2 g. of 1-(1,1-dimethylheptyl)-3,5-dimethoxybenzene and 55.0 g. of pyridine hydrochloride was heated at reflux and stirred for 51/2 hours. The reaction mixture then was cooled to room temperature and added to 150 ml. of water. The aqueous solution was extracted several times with diethyl ether, and the ethereal extracts were washed with water and dried. Removal of the solvent by evaporation under reduced pressure provided the product as a solid residue. The solid was recrystallized from 40 ml. of n-hexane to afford 13.0 g. of 5-(1,1-dimethylheptyl)resorcinol. M.P. 97-99 C. nmr (CDCl3): delta 6.35 (d, 2H, aromatic) delta 6.15 (t, 1H, aromatic) delta 5.2 (broad s, 2H, OH) delta 1.20 (s, 6H, C(CH3)2)
	With hydrogen bromide; In water; acetic acid;	EXAMPLE 6 5-(1,1-dimethylheptyl)resorcinol A solution of 425 g. of 1-(1,1-dimethylheptyl)-3,5-dimethoxybenzene in 1700 ml. of glacial acetic acid containing 850 ml. of 48 percent aqueous hydrobromic acid was stirred and heated at reflux for 12 hours. The reaction mixture was cooled to room temperature and added to 6000 ml. of water. The aqueous reaction mixture was stirred while the product crystallized out of solution. Filtration of the mixture afforded 371 g. of 5-(1,1-dimethylheptyl)resorcinol. M.P. 93-95 C.

	With boron tribromide; In dichloromethane; at -15 - 25℃;	A solution of 11 in 3 volumes of methylene chloride was added dropwise to a stirred solution of 3 molar equivalents of boron tribromide in 6.7 volumes of methylene chloride, at (-15)-(-10) C. over a period of 4-8 hours. The mixture was gradually warmed overnight to room temperature (20-25 C.) and 1 volume of ice water was added. The organic phase was separated and retained and the aqueous phase was extracted twice with 0.3 volumes of methylene chloride. The organic phases were combined, dried over 0.05 parts anhydrous magnesium sulphate, and the solvent was removed in vacuum below 85 C. The residue was refluxed with five volumes of hexane, cooled to 20-25 C. and the resulting crystals of dimethylheptyl resorcinol (12) filtered off, rinsed with hexane and dried under vacuum at 50-55 C.
	With boron tribromide; In toluene; at -15 - 25℃; for 6 - 10h;	A solution of 11 in 3 volumes of toluene was added dropwise to a stirred solution of 3 molar equivalents of boron tribromide in 4 volumes of toluene, at (-15)-(-10) C. over a period of 4-8 hours. The mixture was gradually warmed to room temperature (20-25 C.) over a period of about 2 hours, and then 1 volume of ice water was added. The organic phase was separated and retained and the aqueous phase was extracted twice with 0.3 volumes of toluene. The organic phases were combined, dried over 0.05 parts anhydrous magnesium sulphate, and the solvent was removed in vacuum below 85 C. The residue was refluxed with five volumes of heptane, cooled to 20-25 C. and the resulting crystals of dimethylheptyl resorcinol (12) filtered off, rinsed with hexane and dried under vacuum at 50-55 C.
2 g	With boron tribromide; In dichloromethane; at -78 - 25℃; for 5h;	A solution of Compound (6) (2.0 g, 7.6 mmol) in CH2CI2 (20 mL) was cooled to -78 C. BBr3 (1 .8 mL, 4.7 g, 2.5 equiv) was added dropwise, after which the reaction mixture was warmed to 20-25 C and stirred for 5 hours, by which point the reaction was judged complete by HPLC analysis. The reaction mixture was poured into ice water and extracted twice with EtOAc. The combined extracts were washed with water and dried over MgS04. The dried extracts were concentrated to a brown oil which was crystallized from a mixture of CH2CI2 (4 mL) and heptane (200 mL) to provide 2.0 g of DMHR.

References: [1]Synthetic Communications,1981,vol. 11,p. 429 - 438.
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 6753 - 6771.
[3]Journal of Medicinal Chemistry,2009,vol. 52,p. 2506 - 2514.
[4]Journal of Medicinal Chemistry,2011,vol. 54,p. 8278 - 8288.
[5]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 4770 - 4783.
[6]ChemMedChem,2012,vol. 7,p. 452 - 463.
[7]Journal of the American Chemical Society,1948,vol. 70,p. 662.
[8]Journal of Medicinal Chemistry,1977,vol. 20,p. 17 - 24.
[9]Patent: US4087410,1978,A .
[10]Patent: US4087410,1978,A .
[11]Patent: US4087410,1978,A .
[12]Patent: US2004/110827,2004,A1 .Location in patent: Page/Page column 9.
[13]Patent: US2004/110827,2004,A1 .Location in patent: Page/Page column 11.
[14]Patent: WO2019/79677,2019,A1 .Location in patent: Page/Page column 30; 34.

2
[ 56469-10-4 ]
[ 13537-82-1 ]
[ 61038-46-8 ]

References: [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 3228 - 3233.
[2]Journal of the American Chemical Society,1948,vol. 70,p. 662.

3
[ 141-27-5 ]
[ 56469-10-4 ]
[ 97452-63-6 ]

References: [1]Tetrahedron Letters,1985,vol. 26,p. 1083 - 1086.

4
[ 1253216-40-8 ]
[ 56469-10-4 ]
[ 97452-62-5 ]

References: [1]Tetrahedron Letters,1985,vol. 26,p. 1083 - 1086.

5
[ 56469-10-4 ]
[ 76163-97-8 ]
[ 76163-81-0 ]

References: [1]Tetrahedron Asymmetry,1990,vol. 1,p. 315 - 318.

6
[ 56469-10-4 ]
[ 76163-97-8 ]
[ 113449-78-8 ]

References: [1]Tetrahedron Asymmetry,1990,vol. 1,p. 315 - 318.

7
[ 56469-10-4 ]
[ 76163-97-8 ]
[ 113418-02-3 ]

References: [1]Tetrahedron Asymmetry,1990,vol. 1,p. 315 - 318.

8
[ 56469-10-4 ]
[ 76163-97-8 ]
[ 76163-81-0 ]

References: [1]Il Farmaco,1991,vol. 46,p. 267 - 276.

9
[ 56469-10-4 ]
[ 67119-86-2 ]
[ 123331-82-8 ]

References: [1]Journal of Organic Chemistry,1989,vol. 54,p. 5428 - 5430.

10
[ 56469-10-4 ]
[ 67119-86-2 ]
[ 123331-83-9 ]

References: [1]Journal of Organic Chemistry,1991,vol. 56,p. 6865 - 6872.

11
[ 56469-10-4 ]
[ 67119-86-2 ]
[ 136954-94-4 ]

References: [1]Journal of Organic Chemistry,1991,vol. 56,p. 6865 - 6872.

12
[ 56469-10-4 ]
[ 67119-86-2 ]
[ 123331-83-9 ]

References: [1]Journal of Organic Chemistry,1991,vol. 56,p. 6865 - 6872.

13
[ 22972-51-6 ]
[ 56469-10-4 ]
[ 97452-63-6 ]

References: [1]Tetrahedron Letters,1985,vol. 26,p. 1083 - 1086.

14
[ 56469-10-4 ]
[ 80113-04-8 ]
[ 123331-82-8 ]

References: [1]Journal of Organic Chemistry,1991,vol. 56,p. 6865 - 6872.

15
[ 56469-10-4 ]
[ 112639-13-1 ]

References: [1]Journal of the Chemical Society. Perkin transactions I,1987,p. 1423 - 1428.

16
[ 61597-37-3 ]
[ 56469-10-4 ]
[ 65769-09-7 ]

Yield	Reaction Conditions	Operation in experiment
87%	With sodium hydroxide;tin(IV) chloride; In dichloromethane; water;	EXAMPLE 12 2,7-Dihydroxy-5-isopropylidene-9-(1,1-dimethylheptyl)-2,6-methano-3,4,5,6-tetrahydro-2H-1-benzoxocin A solution of 11.8 g. of 5-(1,1-dimethylheptyl)-resorcinol, 12.0 g. of 1-methoxy-4-(1-hydroxy-1-methyl-ethyl)-1,4-cyclohexadiene and 0.9 ml. of water in 100 ml. of dichloromethane stabilized with cyclohexane (ie. commercial grade dichloromethane) was stirred and cooled to -20 C. in a dry ice-acetone bath. To the cold stirred solution was added 13 ml. of stannic chloride dropwise at a rapid rate over three minutes, during which time the temperature of the reaction mixture increased to -11 C. Immmediately following complete addition of the stannic chloride to the reaction mixture, the mixture was poured into 200 g. of ice, and 50 ml. of water was added to the ice mixture. The organic layer was separated, washed twice with 200 ml. portions of 1N sodium hydroxide and then with 250 ml. of water. The organic layer next was dried, and the solvent was removed by evaporation under reduced pressure to provide 20.5 g. of the product as a solid. The solid thus formed was recrystallized from n-hexane to afford 16.2 g. (87 percent yield) of 2,7-dihydroxy-5-isopropylidene-9-(1,1-dimethylheptyl)-2,6-methano-3,4,5,6-tetrahydro-2H-1-benzoxocin. M.P. 148-152 C.
	In dichloromethane; trifluoroborane diethyl ether;	EXAMPLE 1 2,7-dihydroxy-5-isopropylidene-9-(1,1-dimethylheptyl)-2,6-methano-3,4,5,6-tetrahydro-2H-1-benzoxocin. A solution of 1.0 g. of 1-methoxy-4-(1-hydroxy-1-methylethyl)-1,4-cyclohexadiene and 1.18 g. of 5-(1,1-dimethylheptyl)resorcinol in 40 ml. of dichloromethane was cooled to 5 C. in an ice-water bath and stirred while 1.5 ml. of boron trifluoride diethyl etherate was added to the mixture in one portion. The reaction mixture then was stirred at 5 C. for 5 hours. The reaction mixture then was washed with aqueous sodium bicarbonate solution and dried. The solvent was removed by evaporation under reduced pressure to provide the product as an oil. The oil so formed was triturated with n-hexane and then allowed to stand at room temperature for 12 hours, during which time the oil solidified. The solid product was collected by filtration and was recrystallized from 10 ml. of methyl cyclohexane to afford 580 mg. of 2,7-dihydroxy-5-isopropylidene-9-(1,1-dimethylheptyl)-2,6-methano-3,4,5,6-tetrahydro-2H-1-benzoxocin. M.P. 158-159 C.

References: [1]Patent: US4140701,1979,A .
[2]Journal of Organic Chemistry,1977,vol. 42,p. 2277 - 2284.
[3]Patent: US4054583,1977,A .

17
[ 56469-10-4 ]
[ 82078-77-1 ]
[ 182509-23-5 ]

References: [1]Journal of Organic Chemistry,1977,vol. 42,p. 2277 - 2284.

18
[ 56469-10-4 ]
(-)-6,6-dimethyl-2,4-diacetoxy-2-norpinene [ No CAS ]
[ 182509-23-5 ]

References: [1]Journal of Organic Chemistry,1977,vol. 42,p. 2277 - 2284.

19
[ 28239-05-6 ]
[ 56469-10-4 ]
[ 182509-23-5 ]

References: [1]Chemical Communications,1996,p. 2085 - 2086.

Yield	Reaction Conditions	Operation in experiment
		They were synthesised according to , the starting resorcinol derivatives being: 5-(1,2-dimethyl heptyl)-resorcinol 5-(1,2-dimethyloctyl) resorcinol 5-(1,2-dimethylhexyl) resorcinol 5-(1,1-dimethyl heptyl) resorcinol 5-(1-ethyl-2-methylpropyl) resorcinol 5-methylnonyl resorcinol 5-(1-methylnonyl) resorcinol 5-(1-methyloctyl) resorcinol 5-(1,2,4-trimethylhexyl) resorcinol ...
		In the procedures of example 1 and 2, using the following 5-alkyl resorcinols in place of 5-(1,2-dimethylheptyl)-resorcinol, 5-(1,2-dimethyloctyl) resorcinol 5-(1,2-dimethylhexyl) resorcinol 5-(1,1-dimethylheptyl) resorcinol 5-(1-ethyl-2-methylpropyl) resorcinol 5-(methylnonyl) resorcinol ...

21
[ 56469-10-4 ]
[ 74410-00-7 ]
(+)-5'-dimethylheptyl-cannabidiol [ No CAS ]

References: [1]Organic and Biomolecular Chemistry,2005,vol. 3,p. 1116 - 1123.

22
[ 24903-95-5 ]
[ 56469-10-4 ]
[ 66933-01-5 ]

References: [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 2386 - 2397.

23
[ 56469-10-4 ]
[ 107-30-2 ]
[ 1004305-44-5 ]

Yield	Reaction Conditions	Operation in experiment
75%	With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20℃; for 4.25h;	To a stirred solution of resorcinol (49) (1.00 g, 4.23 mmol) and N-ethyldiisopropyl amine (3.04 mL, 16.92 mmol) in CH2Cl2 at O0C was added chloromethyl methyl ether (0.82 mL, 10.15 mmol) over 15 min period. The solution was warmed to room temperature, stirred for 4 hours and volatiles were removed in vacuo. The residue was purified by flash column chromatography on silica gel (diethyl ether-hexane) to give the title compound in 75% yield.
75%	With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20℃; for 4.25h;	To a stirred solution of resorcinol (49) (1.00 g, 4.23 mmol) and N- <n="107"/>ethyldiisopropylamine (3.04 mL, 16.92 mmol) in CH2CI2 at 0C was added chloromethyl methyl ether (0.82 mL, 10.15 mmol) over 15 min period. The solution was warmed to RT, stirred for 4 hours and volatiles were removed in vacuo. The residue was purified by flash column chromatography on silica gel (diethyl ether-hexane) to give the title compound in 75% yield.

References: [1]Patent: WO2008/13963,2008,A2 .Location in patent: Page/Page column 67.
[2]Patent: WO2009/52319,2009,A1 .Location in patent: Page/Page column 105-106.

24
[ 56469-10-4 ]
[ 194714-93-7 ]

References: [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 3228 - 3233.

25
[ 39192-51-3 ]
[ 56469-10-4 ]

References: [1]Synthetic Communications,1981,vol. 11,p. 429 - 438.

26
[ 61133-09-3 ]
[ 56469-10-4 ]

References: [1]Synthetic Communications,1981,vol. 11,p. 429 - 438.

27
[(Z)-2-(3,5-Dimethoxy-phenyl)-oct-1-enyl]-[1-phenyl-meth-(E)-ylidene]-amine [ No CAS ]
[ 56469-10-4 ]

References: [1]Synthetic Communications,1981,vol. 11,p. 429 - 438.

28
[ 56469-10-4 ]
[ 112924-45-5 ]

References: [1]Tetrahedron Asymmetry,1990,vol. 1,p. 315 - 318.

29
[ 56469-10-4 ]
[ 112924-45-5 ]

References: [1]Tetrahedron Asymmetry,1990,vol. 1,p. 315 - 318.

30
1-(1,1-dimethyl-hept-2-enyl)-3,5-dimethoxy-benzene [ No CAS ]
[ 56469-10-4 ]

References: [1]Journal of the American Chemical Society,1948,vol. 70,p. 662.

31
[ 775352-38-0 ]
[ 56469-10-4 ]

References: [1]Journal of the American Chemical Society,1948,vol. 70,p. 662.

32
[ 61133-10-6 ]
[ 56469-10-4 ]

References: [1]Journal of Medicinal Chemistry,1977,vol. 20,p. 17 - 24.

33
[ 926645-58-1 ]
[ 56469-10-4 ]
[ 113449-78-8 ]

Yield	Reaction Conditions	Operation in experiment
	With boron trifluoride diethyl etherate; In dichloromethane; at -15 - -10℃; for 7h;	To a mixture of 1.1 molar equivalents of 5 and 1.0 molar equivalent of 12 in 24 volumes of methylene chloride were added four molar equivalents of boron trifluoride etherate, at (-15)-(-10) C. over one hour. The reaction mixture was maintained at the above temperature for 2.5 hours, then treated with another four molar equivalents of boron trifluoride etherate over one hour and stirred at the same temperature for another 2.5 hours. The reaction mixture was poured onto 0.5 parts of crushed ice containing 29 molar equivalents of sodium bicarbonate and left overnight at 20-25 C. The organic layer was separated and washed 3 times with 1.4 volumes (each) of 5% aqueous solution of sodium bicarbonate and dried over 0.05 parts of anhydrous sodium sulphate. The solvent was removed in vacuum at 50 Torr and 45 C. The residue was passed through 10 parts of silica gel 60-230 mesh using toluene as eluent. The fractions containing dexanabinol pivalate were collected and the solvent was removed in vacuum to afford dexanabinol pivalate (13) as an oil.
		A 0.5 liter reactor previously filled with nitrogen, was charged with 25.25 g of 5 (0.1 mole) and 36.3 g of 12 (0.14 mole) in 247 ml of DCM. The reaction mixture was cooled to (-15)-(-20) C. under stirring and while keeping the temperature below -14 C. 42.6 g of boron trifluoride etherate were added. The resulting brownish solution was maintained at -15 C. for at least 1 hr. When the reaction was completed, a previously prepared solution of 15.15 g of sodium bicarbonate in 288 ml of water was added while letting the temperature rise up to 20 C. Then the two phases were separated. The organic phase was washed again with sodium bicarbonate solution and again phases were separated. To the organic phase 76 ml of water were added and then 40 g of sodium hydroxide 30.5% solution. After 10 minutes of stirring the two phases were separated. The organic phase was washed with 100 ml of water and again phases were separated. Then the organic phase was acidified with hydrochloric acid at 15-20 C. until pH 4-4.5 and the phases were separated. The organic phase was washed with 100 ml of water and then phases were separated. The solvent was removed under reduce pressure at 40-50 C. The oily residue was diluted with 150 ml of THF. The solution obtained was cooled to 20 C. The product (13) was not further isolated and it was used in the next step as a solution in THF.
	With boron trifluoride diethyl etherate; In dichloromethane; at -11℃; for 0.5h;Inert atmosphere;	(+)-4-hydroxymyrtenol pivalate (RTE.1.2C) (Lot2213- 170-3, 84.1%; 0.28 g, 0.86 mmoles, 1.0 equiv) was charged into a 40 mL scintillation vial with septum and nitrogen inlet. The vial was charged with dimethylbicyclo[3.1.1]hept-2-ene-2-methanol (DMHR) (260 mg, 1.2 equiv). Next the vial was charged with CH2CI2 (5 mL) and the suspension was cooled with an ice/salt bath. The reaction was then charged with BF3 etherate (0.42 mL, 3.5 equivs) added dropwise over 2 minutes by syringe. The resulting brown solution was then stirred cold for 30 mins (reaching a bath temperature of -11C). An aliquot was withdrawn and quenched in a small volume of water. After extracting with CH2CI2 progress was checked by TLC in 3 systems (all ethyl acetate/ heptane). There appeared to be no RTE.1.2C remaining. There was unreacted DMHR well separated from the new spot. The reaction was then quenched in the cold by gradual addition of water (5 mL, 5 volumes). The reaction was allowed to warm with vigorous stirring. The layers were separated by pipet and the bottom layer (CH2CI2, product) was set aside. The aqueous layer was then extracted lx with CH2CI2 (5 mL, 5 volumes.) The combined organic layers were then washed with saturated sodium bicarbonate (5 mL, 5 volumes.) Next the organic layers were washed with 25% sodium hydroxide (0.5 mL). After separating these layers the organic layers were adjusted to pH of ~1 with dropwise addition of 1 N HC1. Then the layers were washed 2x with water (5 mL). The organic layers then concentrated (Rotovap, 30 -40C). The crude product was taken up in CH2CI2 and a few drops of methanol and transferred to a silica flash column. Elution with starting at 0-10% ethyl acetate/heptane gave elution of product well separated from DMHR and partially from two spots just above and below the major. Fractions containing the product spot were concentrated (Rotovap, 50C). The material was transferred to a tared vial and residual solvents were chased with portions of LC- 2213-172-1 Major peak 33.983 mins (75.25%) plus minor peak 35.125 mins (15.98%). LC-MS- 2213-172-2 Major peak 9.420 mins (88.69% at 210 nm, ES" 413 loss of t-butyl). NMR (CDC )- 2213-172-1 1H supports desired structure with good apparent purity. Potency determination by wt/wt (1,4-dimethoxybenzene) as 2213-172-4 A&B gave average of 77.7%. Yield 0.26 g or calculated 50% from potency data (Lot2213-172-3).

References: [1]Patent: US2004/110827,2004,A1 .Location in patent: Page/Page column 9; 10.
[2]Patent: US2004/110827,2004,A1 .Location in patent: Page/Page column 11.
[3]Patent: WO2017/93749,2017,A1 .Location in patent: Page/Page column 21-23.

34
[ 106-24-1 ]
[ 56469-10-4 ]
cannabigerol dimethylheptyl [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With boron trifluoride diethyl etherate; In dichloromethane; at 20℃; for 48h;	Synthesis of resorcinol derivatives Resorcinol derivatives were synthesized essentially as previously described [Baek S. et al. (1995) Bull. Korean Chein. Soc. 16,281-284]. These compounds were prepared by the condensation of a resorcinol derivative, substituted with an Rl side chain at C5, with an allylic alcohol (R2-OH, preferably a terpenoid allylic alcohol) in the presence of BF3 etherate to yield the desired product. The general formula of the resorcinol derivatives produced can be represented by formula (I) below: Wherein Rl stands for either one of: a. a straight or branched alkyl of 7 to 12 carbon atoms; b. a group -O-Ra, where Ra is a straight or branched alkyl of 5 to 9 carbon atoms, or a straight or branched alkyl substituted at the terminal carbon atom by a phenyl group; or c. a group -(CH2)n-O-alkyl, where n is an integer from 1 to 7 and the alkyl group contains 1 to 5 carbon atoms. R2 stands for a non-cyclic terpenoid carbon chain such as geranyl, farnesyl, and related non-cyclic terpenes and their isomers as well as other non cyclic paraffinic or olefinic carbon chains. Essentially, the compounds were synthesized as follows: 1. To a stirred suspension of silica gel (20 g) in dry CH2Ch (100 ml) under N2, BF3 etherate (2 ml) was added. 2. The mixture was stirred for 15 minutes at room temperature, and a solution of 1',1'-dimethyl heptyl resorcinol (2.36 g) and geraniol (2.3 g), in 20 ml of dry CH2Cl2, was added in one portion. 3. The reaction mixture was stirred at room temperature for 48 hours. 4. A saturated solution of NaHC03 was added (200 ml) to the mixture. 5. The mixture was then separated and the aqueous layer was extracted three times with dichloromethane. 6. The combined organic extracts were dried and evaporated. After the evaporation the final weight was 5.37 grams. 7. The compound was purified by column chromatography on silica gel to give 4.3 g pure cannabigerol dimethylheptyl (denominated Compound 1, wherein Rl = 1,1-dimethylheptyl; R2 = geranyl). ¹H NMR: (CDCl3), 8 0.85 (3H, t,CH3), 1.20 (6H, s, two CH3), 1.59,1.67, 1.80 (9H, s, olefinic CH3), 3.42 (2H, d, J = 8.0 Hz, C-8H), 5.04 - 4.94 (2H, m, olefinic H), 6.37 (2H, s, arom H).

References: [1]Patent: WO2005/123051,2005,A2 .Location in patent: Page/Page column 15-17.

35
[ 61597-36-2 ]
[ 573981-49-4 ]
[ 56469-10-4 ]
[ 61597-35-1 ]

Yield	Reaction Conditions	Operation in experiment
	With toluene-4-sulfonic acid; In chloroform-d1; at 20℃; for 4h;	To a 3 -necked flask containing n-butyl lithium (196 ml, 2M) and 44 g potassium tert- butoxide at -780C under nitrogen atmosphere, 50 ml of (+)-alpha-pinene (1) was added dropwise. The reaction was allowed to warm up to room temperature and was stirred continuously for 48 hours. The reaction was then cooled to -78 C. Trimethyl borate (113 ml) in 80 ml of ether was added and the reaction was allowed to warm up to room temperature and was stirred for one additional hour. The organic layer was separated, and the aqueous layer was extracted with n-hexane (3 x 80 ml). The combined organic phases were washed with brine, dried over anhydrous sodium sulfate, filtered and evaporated to dryness to afford compound (2 (+)-beta-pinene. This procedure is according to Brown et al. [Brown H.C. et al., J. Org. Chem. 54: 1764-6, 1989]. To. (+)-beta-pinene (2) (30.8 g) were added RuCl3 (0.470 g), and benzyltributyl ammonium chloride (2.12 g) dissolved in 250 ml of ethyl acetate. To this mixture, sodium periodate (145.5 g) in 1.3 L of water was added dropwise, stirred at room temperature for 3 hours and left overnight. 250 ml of ethyl acetate were added to the reaction mixture. The organic phase was separated, washed with EPO <DP n="36"/>500 ml of brine, 500 ml of 10% sodium sulfite, dried over anhydrous sodium sulfate, filtered, evaporated under reduced pressure to afford compound (3), (-)-Nopinone. This procedure is according to Yuasa et al. [Yuasa Y. et al., J. Essent. Oil. Res. 10: 39-42, 1998]. (-)-Nopinone (3) (14.86 g) and p-toluenesulfonic acid (1.48 g) were dissolved in isoprenyl acetate (148 ml). The reaction mixture was heated at reflux for 5 hours using a Dean- Stark apparatus to remove the acetone. The solvents were removed under reduced pressure, and the residue was taken in 400 ml of ether, washed with water, dried over anhydrous sodium sulfate, filtered and evaporated to afford compound (4), (+)-Nopinone enol acetate. This procedure is based on a method developed for the opposite enantiomer by Archer et al. [Archer R.A. et al., J. Org. Chem. 42: 2277-84, 1977]. To a solution of 16.17 g of (+)-Nopinone enol acetate (4) in 202 ml of dry toluene were added 62.2 g of Pb(OAc)4 (previously dried in vacuo over P2O5/KOH overnight). The reaction mixture was heated at 80C for 3.5 hours, cooled, filtered, washed with saturated sodium bicarbonate. The organic layer was separated, dried over anhydrous sodium sulfate and evaporated under reduced pressure to yield (+)-6,6-Dimethyl-2,4-diacetoxy-2-norpinene (5) and (-)- 6,6-dimethyl-2,2-diacetoxy-3-norpinene (6). A mixture of 5 and 6 (1.18 g, 5 mmol), resorcinol wherein R is 1,1-dimethylheptyl (7) (1.18 g, 5 mmol) and p-toluenesulfonic acid (0.95 g, 5 mmol) in chloroform (50 ml) was allowed to react at room temperature for 4 hours. Ether (30 ml) was then added, and the organic phase was washed with saturated sodium bicarbonate, water, then dried over anhydrous sodium sulfate, filtered and evaporated. The residue was allowed to crystallize in acetonitrile to provide 0.5 g of crystals. The mother liquors were chromatographed over silica gel to afford further 0.7 g of pure compound 18A.

References: [1]Patent: WO2006/43260,2006,A2 .Location in patent: Page/Page column 33-35.

Historical Records

Technical Information

• Acidity of Phenols • Chan-Lam Coupling Reaction • Electrophilic Substitution of the Phenol Aromatic Ring • Etherification Reaction of Phenolic Hydroxyl Group • Halogenation of Phenols • Oxidation of Phenols • Pechmann Coumarin Synthesis • Preparation of Aldehydes and Ketones • Reactions of Benzene and Substituted Benzenes • Reimer-Tiemann Reaction

Related Functional Groups of
[ 56469-10-4 ]

Aryls

A264961 [1138-52-9]

3,5-Di-tert-butylphenol

Similarity: 0.94

A190172 [140-66-9]

4-tert-Octylphenol

Similarity: 0.94

A394722 [80-46-6]

4-tert-Amylphenol

Similarity: 0.94

A218060 [1568-80-5]

3,3,3',3'-Tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol

Similarity: 0.91

A203830 [77-40-7]

4,4'-(Butane-2,2-diyl)diphenol

Similarity: 0.91

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

{[proInfo.proName]}

CAS No.: 56469-10-4

{[proInfo.proName]}