基本情報
- CAS
1197-01-9- 標準SMILES
Cc1ccc(C(C)(C)O)cc1- InChIKey
XLPDVYGDNRIQFV-UHFFFAOYSA-N- 分子式
- C10H14O
- 平均分子量
- 150.22 g/mol
- 単同位体質量
- 150.10446507
概要
P-cymen-8-ol is a clear colorless to pale yellow liquid with an herbaceous celery-like odor. (NTP, 1992)
名称と識別子
- 優先名称
- p-Cymen-8-ol
- IUPAC
- 2-(4-methylphenyl)propan-2-ol
- 現地名
- 4,α,α-トリメチルベンゼンメタノール
- 英語名
- 2-(4-Methylphenyl)propan-2-ol
- 分子式
- C10H14O
- 分子量
- 150.22
名称と別名
2-(4-methylphenyl)propan-2-olp-Cymen-8-ol8-Hydroxy-p-cymene2-(4-Methylphenyl)-2-propanolDimethyl-p-tolyl carbinolCymen-8-ol, p-2-p-Tolyl-2-propanolcherry propanolFEMA No. 3242alpha,alpha,4-Trimethylbenzyl alcohol8-p-cymenolalpha,alpha,4-Trimethylbenzenemethanol
名称をさらに表示
4,α,α-トリメチルベンジルアルコールp-メンタ-1,3,5-トリエン-8-オール2-(4-メチルフェニル)-2-プロパノールp-シメン-8-オールα,α,4-トリメチルベンゼンメタノール4,α,α-トリメチルベンゼンメタノール8-ヒドロキシ-p-シメンα,α,4-トリメチルベンジルアルコール8-p-シメノール2-(p-トリル)-2-プロパノールP,Α,Α-トリメチルベンジルアルコールBenzenemethanol, α,α,4-trimethyl-p-CymenolFEMA 3242p-cymene-8-olp，α，α-Trimethylbenzyl alcohol.alpha.,.alpha.-4-Trimethylbenzenemethanol.alpha.,.alpha.-4-trimethyl-Benzenemethanolp-cymenol-8
2-(P-Methylphenyl)-2-propanol1-Methyl-4-(1-hydroxy-1-methylethyl)benzenep,alpha,alpha-Trimethylbenzyl alcoholDTXSID00248901-Methyl-4-(alpha-hydroxyisopropyl)benzeneEINECS 214-817-7NSC 361057Trimethylbenzyl alcohol, P,alpha,alpha-
物性
構造計算による物性
- XLogP
- 2
- 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
- 121
実験および物理化学的性質
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.96 to 0.98 at 77 °F (water=1) (NTP, 1992)
0.974-0.980 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
1 to 10 mg/mL at 68.9 °F (NTP, 1992)
slightly
Slightly soluble in water
Soluble (in ethanol)
Flash Point205 °F (NTP, 1992)
Boiling Point
147 °F at 0.6 mmHg (NTP, 1992)
64.00 °C. @ 0.60 mm Hg
64 °C (0.6 mm Hg)
Melting Point9 °C
Vapor Densitygreater than 1 (Air=1) (NTP, 1992) (Relative to Air)
Refractive Index1.516-1.520
Physical Description
P-cymen-8-ol is a clear colorless to pale yellow liquid with an herbaceous celery-like odor. (NTP, 1992)
Liquid
Colourless liquid; Green, aromatic aroma
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% (141 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzenemethanol, .alpha.,.alpha.,4-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Benzenemethanol, .alpha.,.alpha.,4-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenemethanol, .alpha.,.alpha.,4-trimethyl-: Environment tier I assessment
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical may cause irritation of the skin and eyes.
Reactive GroupAlcohols and Polyols
Reactivity Profile
P-CYMEN-8-OL is an alcohol. 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. This chemical is incompatible with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsSlightly soluble in water.
Hazard Classes and Categories
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenemethanol, .alpha.,.alpha.,4-trimethyl-: ACTIVE
応用分野
天然物の起源Reported found in cranberry and bilberry, currants, mint, pepper, apricot, orange juice, lemon peel oil, grapefruit juice, mandarin peel oil, tangerine peel oil, satsuma mandarin peel oil, pineapple, fresh blackberry, heated blackberry, ginger, Scotch spearmint oil, parsley leaves, Thymus vulgaris L., Thymus zygis L., carrot, tomato, nutmeg, mace, parsley, Gruyere cheese, cognac, tea, passion fruit, plum, rose, apple, sweet marjoram, mango, parsnip, licorice, dill, juniper berry, myrtle leaf, rosemary, buchu oil, lemon balm, clary sage, Spanish sage, okra, cape gooseberry, pimento berry, calabash nutmeg, ashanti pepper, sweet grass oil, angelica root oil, eucalyptus oil and mastic gum oil.
使用2-(4-Methylphenyl)propan-2-ol can be found in a variety of plants and other sources such as kiwis, pistachio oil and Algerian Thymus munbyanus. There is a study being done to try to extract the compound for the potential use as an antioxidants in an industrial scale for Algerian Thymus munbyanus.
一般的な説明Clear colorless to pale yellow liquid with an herbaceous celery-like odor.
上流・下流製品情報
下流製品
関連反応
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化合物ノート
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