基本情報
- CAS
619-01-2- 標準SMILES
C=C(C)C1CCC(C)C(O)C1- InChIKey
KRCZYMFUWVJCLI-UHFFFAOYSA-N- 分子式
- C10H18O
- 平均分子量
- 154.25 g/mol
- 単同位体質量
- 154.13576519
概要
Dihydrocarveol is a p-menthane monoterpenoid that is the dihydro derivative of carveol. It has a role as an acaricide, a volatile oil component and a plant metabolite. It is a p-menthane monoterpenoid and a secondary alcohol. It is functionally related to a carveol.
名称と識別子
- 優先名称
- 2-Methyl-5-(1-methylethenyl)cyclohexanol
- IUPAC
- 2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
- 現地名
- p-メンタ-8-エン-2-オール
- 英語名
- Dihydrocarveol
- 分子式
- C10H18O
- 分子量
- 154.25
名称と別名
2-Methyl-5-(1-methylethenyl)cyclohexanol2-methyl-5-(1-methylvinyl)cyclohexan-1-olRefChem:587704Dihydrocarveol619-01-21,6-Dihydrocarveol2-methyl-5-(prop-1-en-2-yl)cyclohexanol8-p-Menthen-2-olNeodihydrocarveolCyclohexanol, 2-methyl-5-(1-methylethenyl)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-oldihydro carveol
名称をさらに表示
2-メチル-5-(1-メチルエテニル)シクロヘキサノール3-イソプロペニル-6-メチル-1-シクロヘキサノール8-p-メンテン-2-オール2-メチル-5-イソプロペニルシクロヘキサノール2-メチル-5-(1-メチルエテニル)シクロヘキサン-1-オールp-メンタ-8-エン-2-オール1,6-ジヒドロカルベオールp-Ment-8-en-2-olFEMA 2379CARHYDRANOLihydrocarveol
6-Methyl-3-isopropenylcyclohexanolMenth-8-en-2-ol2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol1-Dihydrocarveolp-MENTH-8-EN-2-OLMFCD000015035-Isopropenyl-2-methylcyclohexanolN-Benzyl-2-[2-methyl-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]acetamide
物性
構造計算による物性
- XLogP
- 3
- 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
- 151
実験および物理化学的性質
FragrancesFragrance Ingredient (Dihydrocarveol (isomer unspecified)) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.921-0.926
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol and most fixed oils; insoluble in water
(in ethanol)
Boiling Point225 °C (d-isomer 222-223)
Refractive Index1.477-1.481
Physical Descriptionalmost colourless, oily liquid with a spearmint-like odour
物理化学的性質
- 沸点
- 224 · 224-225 °C(lit.)
- 比重(密度)
- 0.926 g/mL · 0.926 g/mL at 25 °C(lit.)
- 蒸気密度
- 5.3 · 5.3 (vs air)
- 蒸気圧
- 0.1 mm · 0.1 mm Hg ( 20 °C)
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 55.6% (89 of 160) of all reports.
Warning
H315 (44.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Cyclohexanol, 2-methyl-5-(1-methylethenyl)-
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 2-methyl-5-(1-methylethenyl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (44.4%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OT0175150
- risk_code
- 38
- hazard_code
- Xi
化学と産業
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationCyclohexanol, 2-methyl-5-(1-methylethenyl)-: ACTIVE
応用分野
天然物の起源Reported found (free or esterified) in the essential oils Mentha longifolia, Mentha verticillata, Artemisia juncea, caraway (Mentha virdis var. sativa) cultivated in Calabria, spearmint oil and spearmint scotch oil. Also reported found in black tea, dill herb, celery leaf and stalk, caraway seed and rosemary.
使用Occasionally used in perfume compositions, mainly as a trace ingredient in heavy floral types, Gardenia, Tuberose, and in Geranium bases, woody complexes, etc. It blends well with the lonones, Sandalwood oil, the “Rose” alcohols, etc. This alcohol finds more usc in flavor compositions, mainly for imitation Pepper, Caraway, Mint (compositions), Spice blends and in various Liqueur flavors. The concentration in aicoholic beverages may be as high as 500 ppm.
調製方法
製造方法By reducing carvone and separating the resulting isomers
上流・下流製品情報
上流原料
下流製品
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