p,alpha-DIMETHYLBENZYL ALCOHOL

HCID 10817
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Substructure searchFind similar structures

Basic information

CAS
536-50-5
Standard SMILES
Cc1ccc(C(C)O)cc1
InChIKey
JESIHYIJKKUWIS-UHFFFAOYSA-N
Molecular formula
C9H12O
Average molar mass
136.19 g/mol
Monoisotopic mass
136.088815

Overview

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

Names & identifiers

Preferred name
p,alpha-DIMETHYLBENZYL ALCOHOL
IUPAC
1-(4-methylphenyl)ethanol
English name
(±)-p,alpha-dimethylbenzyl alcohol
Molecular formula
C9H12O
Molecular weight
136.19098

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

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 items

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Boiling Point218-219 °C

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 3 items

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

UsesComponent of the essential oil from some plants in the ginger family; [Merck Index] Used as a flavoring agent; [FDA]
Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

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

Suppliers83 total

上海康恩博医药科技有限公司17510465506 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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