基本情報
- CAS
20405-60-1- 標準SMILES
C=C(C)C1CCC(C)C(OC(C)=O)C1- InChIKey
TUSIZTVSUSBSQI-UHFFFAOYSA-N- 分子式
- C12H20O2
- 平均分子量
- 196.29 g/mol
- 単同位体質量
- 196.14632988
概要
Dihydrocarveol acetate is a p-menthane monoterpenoid.
名称と識別子
- 優先名称
- Dihydrocarvyl acetate
- IUPAC
- (2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
名称と別名
Dihydrocarvyl acetateTuberyl acetateDihydrocarveyl acetateCarhydrine8-p-Menthen-2-yl acetateFEMA No. 2380Menth-8(9)-en-2-yl acetate, p-p-Menth-8(9)-en-2-yl acetateCyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,2R,5R)-rel-EINECS 243-794-6Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate2-Methyl-5-(1-methylethenyl)cyclohexyl acetate, (1alpha,2beta,5alpha)-
名称をさらに表示
EINECS 244-029-9Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1-alpha,2-beta,5-alpha)-RefChem:587707Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1-alpha,2-beta,5-alpha)-(9CI)20777-49-5Dihydrocarveol acetate20405-60-1p-Menth-8-en-2-yl acetate
データベース識別子
- CAS
20405-60-1、20777-49-5- PubChem CID
- 30248
- DTXSID
DTXSID00864942- ChEMBL
CHEMBL1730107- ChEBI
CHEBI:172055- EC Number
- 243-794-6、244-029-9
- Nikkaji
- J160.107E、J236.213I
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 232
実験および物理化学的性質
FragrancesFragrance Ingredient (Dihydrocarvyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.943-0.954
Flavoring AgentsEU Flavoring substances
Solubility
slightly
slightly soluble in water; soluble in alcohol
(in ethanol)
Boiling Point
232.00 to 234.00 °C. @ 760.00 mm Hg
238 °C
Refractive Index1.458-1.463
Physical Descriptioncolourless to pale yellow liquid
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 100% (1407 of 1407) of all reports.
Not Classified
Aggregated GHS information provided per 1407 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Regulation (EC) No 1831/2003 (amended)
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,2R,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate: INACTIVE
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,2R,5R)-rel-: ACTIVE
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