rac-(R*)-α,4-ジメチルベンジルアルコール

p,alpha-DIMETHYLBENZYL ALCOHOL

HCID 10817CAS 536-50-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(C(C)O)cc1
InChIKey: JESIHYIJKKUWIS-UHFFFAOYSA-N
分子式: C9H12O
平均分子量: 136.19 g/mol
単同位体質量: 136.088815

概要

1-(4-Methylphenyl)ethanol is a member of toluenes.

名称と識別子

優先名称: p,alpha-DIMETHYLBENZYL ALCOHOL
IUPAC: 1-(4-methylphenyl)ethanol
現地名: rac-(R*)-α,4-ジメチルベンジルアルコール
英語名: (±)-p,alpha-dimethylbenzyl alcohol
分子式: C9H12O
分子量: 136.19098

名称と別名

1-(4-Methylphenyl)ethanol536-50-51-(p-Tolyl)ethanolBilagenNorbilanTomobil1-p-TolylethanolGalinexMethyl-p-tolylcarbinolp-Tolylmethylcarbinol1-(P-METHYLPHENYL)ETHANOL1-(4-Tolyl)ethanol

名称をさらに表示

rac-(R*)-α,4-ジメチルベンゼンメタノールrac-(R*)-α,4-ジメチルベンジルアルコールrac-(R*)-1-(4-メチルフェニル)エタノールrac-(1R*)-1-(4-メチルフェニル)エタノール(±)-α,4-ジメチルベンゼンメタノール(±)-α,4-Dimethylbenzenemethanolrac-(R*)-1-(4-Methylphenyl)ethanol(1)-p,alpha-Dimethylbenzyl alcoholrac-(R*)-α,4-Dimethylbenzyl alcoholrac-(1R*)-1-(4-Methylphenyl)ethanol

1-(4-methylphenyl)ethan-1-ol1-p-Tolyl-1-ethanolp,alpha-Dimethylbenzyl alcoholhawthorn carbinolalpha,4-Dimethylbenzenemethanol4-TolylmethylcarbinolEthanol, 1-(p-tolyl)-Benzenemethanol, .alpha.,4-dimethyl-

データベース識別子

CAS: 536-50-5、5788-09-0
PubChem CID: 10817
DTXSID: DTXSID00862145
ChEBI: CHEBI:191886
UNII: MUV6GV10SL
EC Number: 208-637-8、227-320-5
Nikkaji: J36.098H

物性

構造計算による物性

XLogP: 1.8
極性表面積: 20.2 Å²
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: 10
形式電荷: 0
複雑度: 92.9

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.980-0.990

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point218-219 °C

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (193 of 193) of all reports.

Not Classified

Aggregated GHS information provided per 193 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenemethanol, .alpha.,4-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzenemethanol, .alpha.,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Not considered hazardous by GHS classifications; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesNot Classified

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

UsesComponent of the essential oil from some plants in the ginger family; [Merck Index] Used as a flavoring agent; [FDA]

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationBenzenemethanol, .alpha.,4-dimethyl-: ACTIVE

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