メチルアセトフェノン

2-Methylacetophenone

HCID 11340

基本情報

CAS: 26444-19-9
標準SMILES: CC(=O)c1ccccc1C
InChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-N
分子式: C9H10O
平均分子量: 134.17 g/mol
単同位体質量: 134.07316494

概要

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.

名称と識別子

優先名称: 2-Methylacetophenone
IUPAC: 1-(2-methylphenyl)ethanone
現地名: メチルアセトフェノン
英語名: 1-(methylphenyl)ethan-1-one
分子式: C9H10O
分子量: 134.1751

名称と別名

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

名称をさらに表示

ar-メチルアセトフェノンメチルアセトフェノン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

データベース識別子

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

物性

構造計算による物性

XLogP: 2
極性表面積: 17.1 Å²
水素結合供与体数: 0
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: 129

実験および物理化学的性質

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 件

Practically insoluble or insoluble in water

Soluble (in ethanol)

物理化学的性質

沸点: 95 · 95-120 °C(Press: 15 Torr)
EPAの化学物質情報: 1 · Ethanone, 1-(methylphenyl)- (26444-19-9)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 4 件

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

安全データ

tsca: TSCA listed

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

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

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化合物ノート

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