基本情報
- CAS
7053-79-4- 標準SMILES
C=C(C)[C@@H]1CC=C(C)[C@@H](OC(C)=O)C1- InChIKey
YTHRBOFHFYZBRJ-NEPJUHHUSA-N- 分子式
- C12H18O2
- 平均分子量
- 194.27 g/mol
- 単同位体質量
- 194.13067981
概要
(1S,5R)-carvyl acetate has been reported in Citrus reticulata, Artemisia annua, and other organisms with data available.
名称と識別子
- 優先名称
- Carvyl acetate, (1S,5R)-
- IUPAC
- [(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
- 英語名
- L-CARVYL ACETATE
- 分子式
- C12H18O2
- 分子量
- 194.27
名称と別名
Carvyl acetate, (1S,5R)-GKA8535XZRtrans-carvyl acetateEINECS 230-332-3(-)-TRANS-CARVYL ACETATE2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S,5R)-2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S-trans)-2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1S,5R)-1134-95-8P-MENTHA-6,8-DIEN-2-OL, ACETATE, (2S,4R)-(-)-RefChem:574756(1s,5r)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl acetate
名称をさらに表示
L-CARVYL ACETATEL-(-)-CARVYL ACETATE
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate(1S,5R)-carvyl acetateUNII-GKA8535XZRTRANS-L-CARVYL ACETATE5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate #SCHEMBL24766474DTXSID40990734(1S-trans)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate
データベース識別子
- CAS
7053-79-4- PubChem CID
- 81505
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
物理化学的性質
- LogP
- 3.359 · 3.359 (est)
- EPAの化学物質情報
- 2 · 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S,5R)- (7053-79-4)
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。
危険有害性情報
Regulatory InformationChemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S-trans)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
安全データ
- tsca
- TSCA listed
化学と産業
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
General Manufacturing Information2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1S,5R)-: INACTIVE
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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