기본 정보
- CAS
17699-05-7- 표준 SMILES
CC(C)=CCCC1(C)C2CC=C(C)C1C2- InChIKey
YMBFCQPIMVLNIU-UHFFFAOYSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
Alpha-bergamotene is a sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group. It has a role as a volatile oil component and a plant metabolite. It is a sesquiterpene, a polycyclic olefin and a bridged compound.
이름 및 식별자
- 우선 이름
- alpha-Bergamotene
- IUPAC
- 2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
- 영어명
- 2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
alpha-Bergamotene17699-05-7CHEBI:627552,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene2,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo(3.1.1)hept-2-eneRefChem:555404241-702-92,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-eneBicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-14087-02-62-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
이름 더 보기
Bergamoteneα-BergamoteneBicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-NISTC17699057trans-2,6-Dimethyl-6-(4-methylpent-3-enyl)-bicyclo[3.1.1]hept-2-ene
alpha-trans-Bergamotene2,6-Dimethyl-6-(4-methyl-3-penten-1-yl)bicyclo[3.1.1]hept-2-eneBicyclo(3.1.1)hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-.alpha.-trans-Bergamotene2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo(3.1.1)hept-2-eneEINECS 241-702-9.alpha.-Bergamotene2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 304
물리화학적 성질
- 끓는 점
- 259.5 · 259.5±7.0 °C(Predicted)
- 밀도
- 0.881 · 0.881±0.06 g/cm3(Predicted)
- LogP
- 7.302 · 7.302 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
화학 및 산업
공급사5 곳
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