基本情報
- CAS
2102-59-2- 標準SMILES
C=C(C)C1CC=C(C)C(O)C1- InChIKey
BAVONGHXFVOKBV-UHFFFAOYSA-N- 分子式
- C10H16O
- 平均分子量
- 152.23 g/mol
- 単同位体質量
- 152.12011513
概要
Carveol is a clear colorless liquid. Insoluble in water.
名称と識別子
- 優先名称
- Carveol
- IUPAC
- 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
- 現地名
- 2-メチル-5-(1-メチルエテニル)-2-シクロヘキセン-1-オール
- 英語名
- CARVEOL
- 分子式
- C10H16O
- 分子量
- 152.23
名称と別名
CARVEOL99-48-9p-Mentha-6,8-dien-2-olp-Mentha-1,8-dien-6-ol2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-ol1-Methyl-4-isopropenyl-6-cyclohexen-2-ol2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol5-Isopropenyl-2-methyl-2-cyclohexen-1-olDTXSID30247362-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-2-Methyl-5-isopropenyl-2-cyclohexen-1-olDTXCID104736
名称をさらに表示
2-メチル-5-(1-メチルエテニル)-2-シクロヘキセン-1-オール1-メチル-4-イソプロペニル-6-シクロヘキセン-2-オールカーヴェオールp-メンタ-1(6),8-ジエン-2-オール2-メチル-5-イソプロペニル-2-シクロヘキセン-1-オールカルベオールp-メンタ-1,8-ジエン-6-オール5-イソプロペニル-2-メチル-2-シクロヘキセン-1-オール2-メチル-5-イソプロペニル-1-シクロヘキセン-3-オールL-カルベオ-ル(-)-カルベオール、異性体混合物L-カルベオール、CISとTRANSの混合物L-カルベオール, 97%1-メチル-4-イソプロペニル-1-シクロヘキセン-6-オールcarveol,2-methyl-5-(1-methylethenyl)-2-cyclohexenolL-Carveol,97%L-CARVEOL 95+%
物性
構造計算による物性
- XLogP
- 2.1
- 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
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 191
実験および物理化学的性質
SpringerMaterials PropertiesOptical coefficient
Fragrances
Fragrance Ingredient (Carveol) -> IFRA transparency List
Fragrance Ingredient (laevo-Carveol) -> IFRA transparency List
LogP
3.12
2.85
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.496 (NTP, 1992) - Denser than water; will sink
0.947-0.953
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (NTP, 1992)
soluble in alcohol
1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
439 to 441 °F at 751 mmHg (NTP, 1992)
226.00 to 227.00 °C. @ 751.00 mm Hg
226-227 °C
Melting Point208 °F (NTP, 1992)
Refractive Index1.493-1.497
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 71.7% (114 of 159) of all reports.
Warning
H315 (28.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 159 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile
Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (28.3%)
安全と保護具
化学と産業
薬理情報
Metabolism/MetabolitesCarveol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyoxane-2-carboxylic acid.
Cellular LocationsExtracellular
用途と製造
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)-: ACTIVE
応用分野
用途有機合成原料。
天然物の起源In small amounts, sometimes esterified, it has been reported present in caraway seeds, spearmint, orange juice, mango and eucalyptus oil.
使用Carveol, is a constituent of spearmint essential oil in the form of cis-()-carveol. It can be used as a fragrance ingredient, and as a flavor additive in the food industry. It is also found that its alpha-trans-dihydroxy derivative, possesses potent antiparkinsonian activity in animal models.
一般的な説明Clear colorless liquid. Insoluble in water.
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