基本情報
- CAS
16230-29-8- 標準SMILES
CC1CCC2C(C)(C)C3CC12CCC3(C)O- InChIKey
SVURIXNDRWRAFU-UHFFFAOYSA-N- 分子式
- C15H26O
- 平均分子量
- 222.37 g/mol
- 単同位体質量
- 222.19836545
概要
Cedran-8-ol has been reported in Artemisia annua, Chamaecyparis obtusa var. formosana, and other organisms with data available.
名称と識別子
- 優先名称
- Cedran-8-ol
- IUPAC
- 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
名称と別名
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
名称をさらに表示
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
データベース識別子
- CAS
16230-29-8、77-53-2- PubChem CID
- 522667
- DTXSID
DTXSID70335033- ChEMBL
CHEMBL4303418- EC Number
- 201-035-6
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 321
実験および物理化学的性質
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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
化学と産業
用途と製造
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
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