基本情報
- CAS
1205-42-1- 標準SMILES
C=C(C)C1CC=C(C)C(OC(C)=O)C1- InChIKey
YTHRBOFHFYZBRJ-UHFFFAOYSA-N- 分子式
- C12H18O2
- 平均分子量
- 194.27 g/mol
- 単同位体質量
- 194.13067981
概要
Carvyl acetate is a clear colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Carvyl acetate
- IUPAC
- (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate
- 現地名
- (-)-酢酸p-メンタ-6(1),8-ジエン-2-イル
- 英語名
- (-)-CARVYL ACETATE
- 分子式
- C12H18O2
- 分子量
- 194.27
名称と別名
CARVYL ACETATE97-42-7p-Mentha-6,8-dien-2-ol, acetate2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetatep-Mentha-1(6),8-dien-2-yl acetate2-METHYL-5-(PROP-1-EN-2-YL)CYCLOHEX-2-EN-1-YL ACETATE1-p-Mentha-6(8,9)-dien-2-yl acetateEINECS 202-580-2DTXSID3024738BRN 23306662-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-yl acetate2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate
名称をさらに表示
1-メチル-4-イソプロペニル-6-アセトキシ-1-シクロヘキセン(-)-カルビルアセタート酢酸2-メチル-5-イソプロペニル-2-シクロヘキセン-1-イル(-)-酢酸p-メンタ-6(1),8-ジエン-2-イル酢酸2-メチル-5-イソプロペニル-2-シクロヘキセニル(-)-酢酸カルビル酢酸2-メチル-5-(1-メチルエテニル)-2-シクロヘキセニル1-カルビルアセタートp-メンタ-6(1),8-ジエン-2-オールアセタートカルベオール酢酸エステルカルビルアセタートカルビルアセテ-ト酢酸(-)-カルビルカルビルアセタート, (-)-l-カルビルアセタートFEMA 2250CARVEOL ACETATE5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate
物性
構造計算による物性
- XLogP
- 2.6
- 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
- 276
実験および物理化学的性質
Fragrances
Fragrance Ingredient (Carvyl acetate) -> IFRA transparency List
Fragrance Ingredient (laevo-Carvyl acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.976 (NTP, 1992) - Less dense than water; will float
0.964-0.970
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in alcohol and most fixed oils
(in ethanol)
Flash Point207 °F (NTP, 1992)
Boiling Point
171 to 174 °F at 0.1 mmHg (NTP, 1992)
229 °C
Refractive Index1.473-1.479
Physical Description
Carvyl acetate is a clear colorless liquid. (NTP, 1992)
colourless to pale yellow liquid with a spearminty odour
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% (1551 of 1551) of all reports.
Not Classified
Aggregated GHS information provided per 1551 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate
Regulation (EC) No 1831/2003 (amended)
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate: Environment tier I assessment
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Causes irritation on contact. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
IFRA Fragrance Standards
Carvyl acetate
Carvyl acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate; 5-Isopropenyl-2-methylcyclohex-2-en-1-yl acetate; p-Mentha-6,8-dien-2-yl acetate; p-Mentha-6,8-dien-2-ol, acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-; 5-Isopropenyl-2-methylcyclohex-2-en-1-yl acetate, cis-; p-Mentha-6,8-dien-2-ol, acetate, cis-; l-1-p-Mentha-6,8(9)-dien-2-yl acetate; cis-Carvyl acetate; laevo-Carvyl acetate; 1-Carvyl acetate; cis-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, trans-; 5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate, trans-; p-Mentha-6,8-dien-2-ol, acetate, trans-; trans-Carvyl acetate; (E)-Carvyl acetate; Carvyl acetate E
IFRA_STD_243.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate: ACTIVE
Restriction Limits in the Finished Product (%)
0.042 [Products applied to the lips]
0.013 [Products applied to the axillae]
0.25 [Products applied to the face/body using fingertips]
0.24 [Products related to fine fragrances]
0.060 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.060 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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