기본 정보
- CAS
17627-44-0- 표준 SMILES
CC(C)=CCC=C(C)C1CC=C(C)CC1- InChIKey
YHBUQBJHSRGZNF-UHFFFAOYSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
- 단동위원소 질량
- 204.18780077
개요
alpha-bisabolene has been reported in Matricaria chamomilla with data available.
이름 및 식별자
- 우선 이름
- alpha-Bisabolene
- IUPAC
- 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
- 영어명
- 6-methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
alpha-Bisabolene17627-44-0alpha1-Bisabolene1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene1,8,12-BisabolatrieneSUQ209P6FXDTXSID1051800EINECS 241-610-9Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-alpha-BisabolenCyclohexene, 4-(1,5-dimethyl-1,4-hexadien-1-yl)-1-methyl-.alpha.-Bisabolene
이름 더 보기
BISABOLENα-bisabolene.Bisabolene 27515032,7,10-BisabolatrieneTrans-alpha-bisaboleneα-Bisabolene,mixture of isomers6-Methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-dien
bisabola-4,7(11),9-trieneCHEBI:49240RefChem:555405.ALPHA.1-BISABOLENE4-(1,5-dimethylhexa-1,4-dien-1-yl)-1-methylcyclohexene2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-DTXCID70303556-Methyl-2-(4-methylcyclohex-3-enyl)hept-2,5-diene
데이터베이스 식별자
- CAS
17627-44-0- PubChem CID
- 86597
- DTXSID
DTXSID1051800
물성
구조 계산 물성
- XLogP
- 5.2
- 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
- 285
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (alpha-Bisabolene) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 끓는 점
- 276.9 · 276.9±25.0 °C(Predicted)
- 밀도
- 0.859 · 0.859±0.06 g/cm3(Predicted)
- 냄새
- 100 %에서 · 100.00%에서. 발삼 매운 꽃 향기
- 냄새 유형
- 발사믹
- 화장품 원료 기능
- 향수
- LogP
- 6.6 · 6.60
- EPA
- 4 · Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl- (17627-44-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P331, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 282 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAsp. Tox. 1 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexene, 4-(1,5-dimethyl-1,4-hexadien-1-yl)-1-methyl-: ACTIVE
공급사29 곳
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
宁波万核化学科技有限公司+86-15827200700 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
泰州市奥睿锦生物科技有限公司0523-0523-86200346 15996028822 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
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