기본 정보
- CAS
117-98-6- 표준 SMILES
CC(=O)OC1C=C(C)C2CC(=C(C)C)CC2C(C)C1- InChIKey
UAVFEMBKDRODDE-UHFFFAOYSA-N- 분자식
- C17H26O2
- 평균 분자량
- 262.4 g/mol
- 단동위원소 질량
- 262.19328007
개요
Vetiveryl acetate is a sesquiterpenoid.
이름 및 식별자
- 우선 이름
- Vetivert acetate
- IUPAC
- (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate
- 영어명
- 1,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate
- 분자식
- C17H26O2
- 분자량
- 262.38714
이름 및 동의어
Vetiveryl acetateVetivert acetate117-98-6Z5JO63XGNK6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, 6-acetateFEMA NO. 4218DTXSID608617504,8-dimethyl-2-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl acetate6-AZULENOL, 1,2,3,3a,4,5,6,8a-OCTAHYDRO-2-ISOPROPYLIDENE-4,8-DIMETHYL-, ACETATERefChem:1100971DTXCID30810634DTXSID201057385
이름 더 보기
Einecs 204-225-71,2,3,3a,4,5,6,8a-octahydro-2-isopropylidene1,2,3,3a,4,5,6,8a-Octahydro-2-isopropyliden-4,8-dimethylazulen-6-ylacetat1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-6-azuleno a1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-6-azulenoacetate1,2,3,3a,4,5,6,8a-Octahydro-4,8-dimethyl-2-(1-methylethylidene)azulen-6-ol acetate6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, acetateacetic acid 2-isopropylidene-4,8-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl ester
204-225-7Vetiver acetate62563-80-8Vetiverol, acetateVetiver acetate, Java1,2,3,3a,4,5,6,8a-Octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetateVetiveryl acetate (Vetiveria zizanioides (L.) Nash)
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 427
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient (Vetiverol, acetate) -> IFRA transparency List
Fragrance Ingredient (Vetiveryl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Physical DescriptionColourless solid; Sweet woody aroma
물리화학적 성질
- 끓는 점
- 346.64 °C · 346.64°C (rough estimate)
- 밀도
- 1.0298 · 1.0298 (rough estimate)
- 굴절률
- 1.477 · 1.4770 (estimate)
- FEMA
- 4218 · 4218 | VETIVERYL ACETATE
- 냄새
- 100 %에서 · 100.00%에서. 우디, 파우더리, 루트 베티버, 스위트 드라이, 샌달우드
- 냄새 유형
- 우디
- JECFA Number
- 1867 · 1867
- Henry's Law Constant
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 322 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 0.5% (1 of 182) of reports.
Warning
유해성 정보
Regulatory Information
Chemical: 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, acetate
Chemical: Vetiverol, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Vetiverol, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (20.9%)
Skin Sens. 1B (100%)
안전 데이터
- tsca
- TSCA listed
- 독성
- skn-rbt 500 mg/24H MOD FCTXAV 12,1011,74
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, 6-acetate: ACTIVE
공급사5 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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