기본 정보
- CAS
72059-10-0- 표준 SMILES
CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C)CC1- InChIKey
RGZSQWQPBWRIAQ-HUUCEWRRSA-N- 분자식
- C15H26O
- 평균 분자량
- 222.37 g/mol
- 단동위원소 질량
- 222.19836545
개요
(-)-epi-α-bisabolol has been reported in Artemisia adamsii, Picea jezoensis, and other organisms with data available.
이름 및 식별자
- 우선 이름
- alpha-Bisabolol, (-)-epi-
- IUPAC
- (2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
이름 및 동의어
(-)-Anymol(-)-epi-alpha-Bisabolol78148-59-1Anymolalpha-Bisabolol, (-)-epi-UNII-37VB7WIC8L37VB7WIC8L(-)-8-epi-alpha-Bisabolol(-)-(1'S,2R)-alpha-Bisabolol(-)-(4S,8R)-epi-alpha-Bisabololepi-alpha-Bisabolol, (-)-(4S,8R)-3-Cyclohexene-1-methanol, alpha,4-dimethyl-alpha-(4-methyl-3-penten-1-yl)-, (alphaR,1S)-
이름 더 보기
epi-alpha-BisabololRefChem:27237(2R)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-olCHEMBL477832(R)-6-Methyl-2-((S)-4-methylcyclohex-3-en-1-yl)hept-5-en-2-olepi-.alpha.-Bisabolol(+/-)-alpha-Bisabolol6-epi-.alpha.-Bisabolol
데이터베이스 식별자
- CAS
72059-10-0、78148-59-1- PubChem CID
- 1616126
- DTXSID
DTXSID001371004- ChEMBL
CHEMBL477832- UNII
- 37VB7WIC8L
- Nikkaji
- J291.104C
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 284
실험 및 물리화학적 성질
FragrancesFragrance Ingredient ((-)-epi-_-Bisabolol) -> IFRA transparency List
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
alpha-Bisabolol
(R*,R*)-.α.,4-Dimethyl-.α.-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol; 3-Cyclohexene-1-methanol, .α.,4-dimethyl-.α.-(4-methyl-3-pentenyl)-, (R*,R*)-; 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αS,1S)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αR,1R)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αR,1S)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αS,1R)-; alpha-Bisabolol; Bisabolol; Bisabolol nat. roh (Candela-Ãl) (Commercial name); Dragosantol (Commercial name)
IFRA_STD_192.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
Restriction Limits in the Finished Product (%)
0.42 [Products applied to the lips]
0.13 [Products applied to the axillae]
2.5 [Products applied to the face/body using fingertips]
2.4 [Products related to fine fragrances]
0.6 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.6 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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