기본 정보
- CAS
81836-13-7- 표준 SMILES
C=C1[C@H]2C[C@H]([C@H]3CC=C(C)[C@H]32)[C@H]1OC(C)=O- InChIKey
WVQDRUDZFCGZPH-KSTCHIGDSA-N- 분자식
- C14H18O2
- 평균 분자량
- 218.29 g/mol
- 단동위원소 질량
- 218.13067981
이름 및 식별자
- 우선 이름
- 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, 6-acetate, (3aR,4S,6R,7R,7aS)-rel-
- IUPAC
- [(1S,2R,6S,7R,8R)-3-methyl-9-methylidene-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
- 영어명
- (3aalpha,4alpha,6alpha,7alpha,7aalpha)-3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-4,7-methano-1H-inden-6-yl acetate
- 분자식
- C14H18O2
- 분자량
- 218.29
이름 및 동의어
EINECS 279-836-54,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, acetate, (3aR,4S,6R,7R,7aS)-rel-4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, 6-acetate, (3aR,4S,6R,7R,7aS)-rel-4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, acetate, (3aalpha,4alpha,6alpha,7alpha,7aalpha)-RefChem:5082794,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, acetate, (3a.alpha.,4.alpha.,6.alpha.,7.alpha.,7a.alpha.)-81836-13-7(3aalpha,4alpha,6alpha,7alpha,7aalpha)-3a,4,5,6,7,7a-Hexahydro-3-methyl-5-methylene-4,7-methano-1H-inden-6-yl acetateDTXSID3052565WVQDRUDZFCGZPH-KSTCHIGDSA-N(3aR,4S,6R,7R,7aS)-3-Methyl-5-methylidene-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate3-hexahydromethyl methylene methanohinden-6-yl acetate
이름 더 보기
3-Methyl-8-acetoxy-9-methylene tricyclo[5.2.1.O2,6]dec-3-ene7-methano-1h-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene- aceta(3aalpha,4alpha,6alpha,7alpha,7aalpha)-3a,4,5,6,7,7a-Hexahydro-3-methyl-5-methylen-4,7-methano-1H-inden-6-ylacetat(3a.alpha.,4.alpha.,6.alpha.,7.alpha.,7a.alpha.)-3a,4,5,6,7,7a-Hexahydro-3-methyl-5-methylene-4,7-methano-1H-inden-6-y
데이터베이스 식별자
- CAS
81836-13-7- PubChem CID
- 44145973
- DTXSID
DTXSID3052565- EC Number
- 279-836-5
- Nikkaji
- J291.267H
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 394
물리화학적 성질
- 끓는 점
- 291.3 · 291.3±40.0 °C(Predicted)
- 밀도
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- 냄새
- 신선한 녹색
- 화장품 원료 기능
- 향수
- EPA
- 4 · 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, acetate, (3aR,4S,6R,7R,7aS)-rel- (81836-13-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, acetate, (3a.alpha.,4.alpha.,6.alpha.,7.alpha.,7a.alpha.)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationIMAP assessments - 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, acetate, (3a.alpha.,4.alpha.,6.alpha.,7.alpha.,7a.alpha.)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-3-methyl-5-methylene-, 6-acetate, (3aR,4S,6R,7R,7aS)-rel-: INACTIVE
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