2-Methylacetophenone

HCID 11340
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Basic information

CAS
26444-19-9
Standard SMILES
CC(=O)c1ccccc1C
InChIKey
YXWWHNCQZBVZPV-UHFFFAOYSA-N
Molecular formula
C9H10O
Average molar mass
134.17 g/mol
Monoisotopic mass
134.07316494

Overview

2'-methylacetophenone is a member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2. It has a role as an acaricide, a flavouring agent and a fungal metabolite. It is a member of acetophenones and a member of toluenes.

Names & identifiers

Preferred name
2-Methylacetophenone
IUPAC
1-(2-methylphenyl)ethanone
English name
1-(methylphenyl)ethan-1-one
Molecular formula
C9H10O
Molecular weight
134.1751

Names & synonyms

577-16-22'-METHYLACETOPHENONE1-(o-Tolyl)ethanone2-Methylacetophenone2-Acetyltolueneo-Acetyltoluene2'-MethylacetylphenoneEthanone, 1-(2-methylphenyl)-1-(2-methylphenyl)ethan-1-oneMethyl o-tolyl ketoneAcetophenone, 2'-methyl-ortho-methylacetophenone
Show more names
1-(methylphenyl)ethan-1-one
1-(o-tolyl)ethan-1-onemethyl 2-methylphenyl ketone1-(2-Tolyl)ethanoneNSC 84233Ethanone, 1-(methylphenyl)-23O5EV975S2-METHYLPHENYL METHYL KETONEEINECS 209-408-5

Database identifiers

CAS
26444-19-9、577-16-2
PubChem CID
11340
DTXSID
DTXSID501015360
ChEBI
CHEBI:145958
UNII
23O5EV975S
EC Number
209-408-5、247-691-7
Nikkaji
J45.639J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.023-1.029
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Practically insoluble or insoluble in water

Soluble (in ethanol)

Physicochemical properties

Boiling point
95 · 95-120 °C(Press: 15 Torr)
EPA Substance Registry System
1 · Ethanone, 1-(methylphenyl)- (26444-19-9)
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1375 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Ethanone, 1-(2-methylphenyl)-

Chemical: Ethanone, 1-(methylphenyl)-

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

Ethanone, 1-(2-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Acetophenone.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca
TSCA listed

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationEthanone, 1-(methylphenyl)-: INACTIVE

Suppliers100 total

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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 2'-methylacetophenone is a member of the class of acetophenones that is acetophenone which is substituted by a methyl group at position 2. It has a role as a fungal metabolite, an acaricide and a flavouring agent. It is a member of acetophenones and a member of toluenes.

Related reactions

41 records
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Compound notes

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