AG00I4IQ

Name: 3-Cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl-3-pentenyl)-,(aS,1S)-
Brand: Angene Chemical
SKU: AG00I4IQ

23089-26-1 | 3-Cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl-3-pentenyl)-,(aS,1S)-

Chemical structure of 3-Cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl-3-pentenyl)-,(aS,1S)-, CAS 23089-26-1

AG00I4IQ

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CAS Number	23089-26-1
Catalog Number	AG00I4IQ(AGN-PC-0QZJZA)
Chemical Name	3-Cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl-3-pentenyl)-,(aS,1S)-
FEMA Number	4666
IUPAC Name	(2S)-6-methyl-2-[(1S)-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/t14-,15+/m1/s1
InChI Key	RGZSQWQPBWRIAQ-CABCVRRESA-N
MDL Number	MFCD03412455
Molecular Formula	C15H26O
Molecular Weight	222.3663
SMILES	CC(=CCC[C@](C)(O)[C@@H]1CC=C(CC1)C)C
UNII	24WE03BX2T
Synonyms	(+)-4-epi-alpha-bisabolol, bisabolol, bisabolol, (+)-isomer, bisabolol, (-)-isomer, levomenol, LEVOMENOL, (-)-alpha-Bisabolol, alpha-Bisabolol, 23089-26-1, Bisabolol, Kamillosan, UNII-24WE03BX2T, alpha-(-)-Bisabolol, CHEBI:125, 24WE03BX2T, RGZSQWQPBWRIAQ-CABCVRRESA-N, (2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol, Levomenolum, Kamilosan, (-)-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, 1-alpha-Bisabolol, Levomenol [INN], alpha-Bisabolol, L-, alpha-Bisabolol (-)-form, 515-69-5, Levomenolum [INN-Latin], Bisbalol, CCRIS 9081, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, [S-(R,R)]-, EINECS 245-423-3, l-.alpha.-Bisabolol, (-)-\|A-Bisabolol, .alpha.-Bisabolol, L-, AC1L9CMZ, .alpha.-(-)-Bisabolol, (-)--BISABOLOL, ALPHA-(-)BISABOLOL, DSSTox_CID_22094, DSSTox_RID_79924, DSSTox_GSID_42094, SCHEMBL24989, .alpha.-Bisabolol (-)-form, ((-))-6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, CHEMBL1096927, DTXSID4042094, ZINC1849759, [S-(R,R)]-.alpha.-Bisabolol, Tox21_301375, 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (-)-, BDBM50382730, MFCD03412455, DB13153, LMPR0103060001, (-)-alpha-Bisabolol, >=93% (GC), NCGC00255987-01, (-)-alpha-Bisabolol, analytical standard, CAS-23089-26-1, Alpha-Bisabolol 1000 microg/mL in Isopropanol, C09621, J-014978, UNII-36HQN158VC component RGZSQWQPBWRIAQ-CABCVRRESA-N, (-)-alpha-Bisabolol, primary pharmaceutical reference standard, Levomenol, United States Pharmacopeia (USP) Reference Standard, 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, (-)-, 3-Cyclohexene-1-methanol, a,4-dimethyl-a-(4-methyl-3-pentenyl)-,(aS,1S)-, [S-(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)-, (-)-, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (.alpha.S,1S)-, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (alphaS,1S)-, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-pentenyl)-, (S-(theta,theta))-, a-Bisabolol, .alpha.-Bisabolol, -ALPHA-BISABOLOL, bisabolol, (+)-isomer, bisabolol, (-)-isomer, UNII-36HQN158VC, (+)-4-epi-alpha-bisabolol, C15H26O, EINECS 208-205-9, EINECS 246-973-7, C15-H26-O, CID442343, C004497, 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, 3-Cyclohexene-1-methanol, ?,4-dimethyl-?-(4-methyl-3-pentenyl)-, (R,R)-, alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol, (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,R)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol, 3-ciclohexeno-1-metanol, ?,4-dimetil-?-(4-metil-3-penten-1-il)-, (?s,1s)-, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (R,R)-, 3-Cyclohexene-1-methanol, ?,4-dimethyl-?-(4-methyl-3-pentenyl)-, [S-(R,R)]-, 3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(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-, 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (.alpha.R,1R)-rel-,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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