基本情報
- CAS
138-87-4- 標準SMILES
C=C(C)C1CCC(C)(O)CC1- InChIKey
RUJPNZNXGCHGID-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
Beta-terpineol is a member of the class of terpineols that is cyclohexanol carrying additional methyl and propenyl substituents at positions 1 and 4 respectively. It has a role as a volatile oil component, a fragrance and a plant metabolite. It is a terpineol and a tertiary alcohol.
名称と識別子
- 優先名称
- Beta-Terpineol
- IUPAC
- 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
- 現地名
- 1-メチル-4-(1-メチルエテニル)シクロヘキサノール
- 英語名
- BETA-TERPINEOL
- 分子式
- C10H18O
- 分子量
- 154.25
名称と別名
BETA-TERPINEOL138-87-4p-Menth-8-en-1-ol1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-olCyclohexanol, 1-methyl-4-(1-methylethenyl)-1-Methyl-4-(1-methylethenyl)cyclohexanol1-Methyl-4-isopropenylcyclohexan-1-ol4-Isopropenyl-1-methyl-1-cyclohexanolFEMA No. 3564beta-TerpinolDTXSID7041209XS86XKC2VT
名称をさらに表示
1-メチル-4-(1-メチルエテニル)シクロヘキサノール1-メチル-4-(1-メチルエテニル)シクロヘキサン-1-オールβ-テルピネオール8-p-メンテン-1-オール1-メチル-4-イソプロペニルシクロヘキサノールp-メンタ-8-エン-1-オールベータ-テルピネオールβ-TERPINEOL4-Isopropenyl-1-methylcyclohexanolAI300731AI3 00731AI3-00731b-Terpineolp-Ment-8-en-1-ol
DTXCID5021209CHEBI:132899RefChem:5679811-methyl-4-(1-methylethenyl)cyclohexanal205-342-6trans-beta-Terpineolcis-beta-Terpineol7299-40-3
物性
構造計算による物性
- XLogP
- 2.5
- 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
- 152
実験および物理化学的性質
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (p-Menth-8-en-1-ol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.930-0.936
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, alcohol, and oils
(in ethanol)
Boiling Point210 °C
Refractive Index1.482-1.485
Physical Descriptioncolourless, slightly viscous liquid with a pungent woody-earthy odour
物理化学的性質
- 融点
- 32.5 °C · 32.5°C
- 沸点
- 210 °C · 210°C (estimate)
- 比重(密度)
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 37.4% (55 of 147) of reports.
Warning
H315 (62.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 147 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Cyclohexanol, 1-methyl-4-(1-methylethenyl)-
Beta-terpineol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 1-methyl-4-(1-methylethenyl)-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (62.6%)
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexanol, 1-methyl-4-(1-methylethenyl)-: ACTIVE
応用分野
天然物の起源Reported found in citrus peel oils, orange and grapefruit juice, guava, ginger, nutmeg, thymus, cognac, mango, apple brandy, cardamom, dill herb and seed, laurel, rosemary, buchu oil, lemon balm, Roman chamomile oil and eucalyptus oil.
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