AG0034G6

Name: 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-rel-
Brand: Angene Chemical
SKU: AG0034G6

515-69-5 | 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-rel-

Chemical structure of 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-rel-, CAS 515-69-5

AG0034G6

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CAS Number	515-69-5
Catalog Number	AG0034G6(AGN-PC-0SAT20)
Chemical Name	3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-rel-
FEMA Number	4666
IUPAC Name	6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
InChI	InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3
InChI Key	RGZSQWQPBWRIAQ-UHFFFAOYSA-N
MDL Number	MFCD03846910
Molecular Formula	C15H26O
Molecular Weight	222.3663
NSC Number	606842
SMILES	CC(=CCC[C@@](C)(O)[C@H]1CC=C(CC1)C)C
Synonyms	(+)-4-epi-alpha-bisabolol, bisabolol, bisabolol, (+)-isomer, bisabolol, (-)-isomer, levomenol, alpha-Bisabolol, Bisabolol, (+/-)-alpha-Bisabolol, 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, 515-69-5, 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol, 6-methyl-2-(4-methylcyclohex-3-enyl)hept-5-en-2-ol, Dragosantol, Camilol, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (.alpha.R,1R)-rel-, W-110632, Hydagen B, EINECS 208-205-9, EINECS 246-973-7, dl-.alpha.-Bisabolol, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-penten-1-yl)-, (.alpha.R,1R)-rel-, 6-epi-.alpha.-Bisabolol, 7-epi-.alpha.-Bisabolol, Anymol, 5-HEPTEN-2-OL, 6-METHYL-2-(4-METHYL-3-CYCLOHEXEN-1-YL)-, alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol, NSC606842, (R,R)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol, EINECS 276-310-7, epi-.alpha.-Bisabolol, AC1L1VIJ, (-)-.alpha.-Bisabolol, MLS001304113, SCHEMBL172398, .alpha.,4-Dimethyl-.alpha.-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (R,R)-(1)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol, (R,R)-.alpha.,4-Dimethyl-.alpha.-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol, (R,R)-.alpha.,4-Dimethyl-.alpha.-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (alphaR,1R)-rel-, RGZSQWQPBWRIAQ-UHFFFAOYSA-N, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, [S-(R,R)]-, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-penten-1-yl)-, (alphaR,1R)-rel-, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (theta,theta)-(+/-)-, BBL018680, SBB057002, STK111280, AKOS005398189, bisabolol, same as "alpha-Bisabolol"., MCULE-3206249578, NSC-606842, (R,S)-(1)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol, KS-0000140Q, 72059-10-0, AN-17960, AN-23506, CC-22864, LS-74679, SMR000037359, ST098713, FT-0615565, T7922, C-35203, (?)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-meth- anol, (R,R)-(+/-)-,4-Dimethyl-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (R,R)-, 3-Cyclohexene-1-methanol,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (R,R)-, 26560-22-5, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (.alpha.S,1S)-, a-Bisabolol, .alpha.-Bisabolol, \|A-Bisabolol, LEVOMENOL, ()--Bisabolol, UNII-36HQN158VC, C15H26O, CID10586, C15-H26-O, A7604, B2119, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (R,R)-, 23089-26-1, 3-Cyclohexene-1-methanol, ?,4-dimethyl-?-(4-methyl-3-pentenyl)-, (R,R)-, (alpha R,1R)-rel-alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol, (R, R)- a, 4- dimethyl- a- (4- methyl- 3- pentenyl)cyclohex- 3- ene- 1- methanol, (R,S)-(+-)-alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol, 3-Cyclohexene-1-methanol, ?,4-dimethyl-?-(4-methyl-3-pentenyl)-, [S-(R,R)]-, (R,R) - a,4 - dimethyl - a - (4 - methyl - 3 - pentenyl)cyclohex - 3 - ene - 1 - methanol, 3-ciclohexeno-1-metanol, Alfa,4-Dimetil-Alfa-(4-metil-3-penten-1-il)-, (Alfa R, 1R)-rel-,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.198g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.372g/mol
Monoisotopic Mass	222.198g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H311-H319-H413
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P312
UN Code	UN 2810

Related Research Chemicals

CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited