기본 정보
- CAS
23445-02-5- 표준 SMILES
CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC[C@](C)(O)[C@@H]2[C@@H]13- InChIKey
KONGRWVLXLWGDV-BYGOPZEFSA-N- 분자식
- C15H26O
- 평균 분자량
- 222.37 g/mol
- 단동위원소 질량
- 222.19836545
개요
(-)-cubebol is a tertiary alcohol resulting from the formal addition of water to the double bond of alpha-cubebene. It is a sesquiterpenoid, a tertiary alcohol and a carbotricyclic compound.
이름 및 식별자
- 우선 이름
- Cubebol
- IUPAC
- (1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
- 영어명
- (1R,4S,5R,6R,7S,10R)-4,10-Dimethyl-7-isopropyltricyclo[4.4.0.01,5]decane-4-ol
- 분자식
- C15H26O
- 분자량
- 222.37
이름 및 동의어
cubebolcubeb camphor(-)-cubebol23445-02-5FEMA No. 44979C9ZTS2B3UCHEBI:63446DTXSID901779971H-Cyclopenta(1,3)cyclopropa(1,2)benzen-3-ol, octahydro-3,7-dimethyl-4-(1-methylethyl)-, (3S,3aR,3bR,4S,7R,7aR)-(1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol1H-Cyclopenta(1,3)cyclopropa(1,2)benzen-3-ol, octahydro-3,7-dimethyl-4-(1-methylethyl)-, (3S-(3alpha,3abeta,3balpha,4alpha,7beta,7aS*))-(1R,4S,5R,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo(4.4.0.01,5)decan-4-ol
이름 더 보기
(1R,4S,5R,6R,7S,10R)-4,10-Dimethyl-7-isopropyltricyclo[4.4.0.01,5]decane-4-ol(3S,3aβ,3bα,7aR)-Octahydro-3,7β-dimethyl-4α-isopropyl-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
1H-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol, octahydro-3,7-dimethyl-4-(1-methylethyl)-, (3S,3aR,3bR,4S,7R,7aR)-RefChem:128696DTXCID50100488(4R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo(4.4.0.01,5)decan-4-ol(3S,3aR,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol(-)-(1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.0(1,5)]decan-4-ol(1R,4S,5R,6R,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.0(1,5)]decan-4-olUNII-9C9ZTS2B3U
데이터베이스 식별자
- CAS
23445-02-5- PubChem CID
- 11276107
- DTXSID
DTXSID90177997- ChEBI
CHEBI:63446- UNII
- 9C9ZTS2B3U
- Nikkaji
- J16.596D
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 311
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility
Slightly soluble in water
Soluble (in ethanol)
Physical DescriptionWhite solid crystals; Warm spicy naturally cooling mint-like aroma
물리화학적 성질
- 녹는점
- 61 · 61-62 °C
- 끓는 점
- 279.5 · 279.5±8.0 °C(Predicted)
- 밀도
- 1 · 1.00±0.1 g/cm3(Predicted)
- FEMA
- 4497 · 4497 | CUBEBOL
- 산도 계수 (pKa)
- 15.19 · 15.19±0.60(Predicted)
- 냄새
- 매운 민트
- 냄새 유형
- 매운
- JECFA Number
- 2028 · 2028
- LogP
- 4.55 · 4.55
화학 및 산업
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: A tertiary alcohol resulting from the formal addition of water to the double bond of alpha-cubebene.
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…