기본 정보
- CAS
16230-29-8- 표준 SMILES
CC1CCC2C(C)(C)C3CC12CCC3(C)O- InChIKey
SVURIXNDRWRAFU-UHFFFAOYSA-N- 분자식
- C15H26O
- 평균 분자량
- 222.37 g/mol
- 단동위원소 질량
- 222.19836545
개요
Cedran-8-ol has been reported in Artemisia annua, Chamaecyparis obtusa var. formosana, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Cedran-8-ol
- IUPAC
- 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
이름 및 동의어
16230-29-8Cedran-8-ol2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-olDTXSID703350332,6,6,8-tetramethyltricyclo(5.3.1.01,5)undecan-8-olRefChem:1081307DTXCID20286122Epicedrol(+)-Cedrol77-53-22,6,6,8-tetramethyltricyclo[5.3.1.0?,?]undecan-8-ol3,6,8,8-Tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol
이름 더 보기
2,6,6,8-tetramethyltricyclo[5.3.1.0(1),]undecan-8-olCedran-8-ol #1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-SCHEMBL107489CHEMBL4303418SVURIXNDRWRAFU-UHFFFAOYSA-NBBL018850MFCD00019040
데이터베이스 식별자
- CAS
16230-29-8、77-53-2- PubChem CID
- 522667
- DTXSID
DTXSID70335033- ChEMBL
CHEMBL4303418- EC Number
- 201-035-6
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
- 0
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 321
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water
Soluble (in ethanol)
Physical Description
Other Solid
Pale yellow to yellow green solid; Sweet fruity cedar-like aroma
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 0.1% (2 of 1823) of reports.
H411 (99.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1823 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: [3R-(3α,3aβ,6α,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol (EC: 201-035-6)
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (99.8%)
화학 및 산업
용도 및 제조
U.S. Production2023: 110,000 lb
Industry UsesFragrance
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Not Known or Reasonably Ascertainable
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-: ACTIVE
관련 반응
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