1-(메틸페닐)에탄-1-온

2-Methylacetophenone

HCID 11340

기본 정보

CAS: 26444-19-9
표준 SMILES: CC(=O)c1ccccc1C
InChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-N
분자식: C9H10O
평균 분자량: 134.17 g/mol
단동위원소 질량: 134.07316494

개요

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.

이름 및 식별자

우선 이름: 2-Methylacetophenone
IUPAC: 1-(2-methylphenyl)ethanone
현지명: 1-(메틸페닐)에탄-1-온
영어명: 1-(methylphenyl)ethan-1-one
분자식: C9H10O
분자량: 134.1751

이름 및 동의어

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

이름 더 보기

1-(메틸페닐)에탄-1-온1-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

실험 및 물리화학적 성질

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 · 2건

Practically insoluble or insoluble in water

Soluble (in ethanol)

물리화학적 성질

끓는 점: 95 · 95-120 °C(Press: 15 Torr)
EPA: 1 · Ethanone, 1-(methylphenyl)- (26444-19-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

안전 데이터

tsca: TSCA listed

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

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

공급사100 곳

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]

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