메틸(3-)아세토페논

3-Methylacetophenone

HCID 11455CAS 585-74-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1cccc(C)c1
InChIKey: FSPSELPMWGWDRY-UHFFFAOYSA-N
분자식: C9H10O
평균 분자량: 134.17 g/mol
단동위원소 질량: 134.07316494

개요

M-Methylacetophenone is an aromatic ketone.

이름 및 식별자

우선 이름: 3-Methylacetophenone
IUPAC: 1-(3-methylphenyl)ethanone
현지명: 메틸(3-)아세토페논
영어명: 3'-Methylacetophenone
분자식: C9H10O
분자량: 134.18

이름 및 동의어

3'-Methylacetophenone585-74-03-METHYLACETOPHENONEEthanone, 1-(3-methylphenyl)-Acetophenone, m-methyl-Acetophenone, 3'-methyl-V3KL17Y68NEINECS 209-561-8NSC 46632NSC-46632DTXSID5074717mMethylacetophenone

이름 더 보기

메틸(3-)아세토페논3'-메틸아세토페논1-(m-tolyl)ethan-1-oneM-METHYLACETOPHENONE1-m-tolylethanoneM-ACETYLTOLUENE3-ACETYLTOLUENECelecoxib Impurity 50METHYL M-TOLYL KETONEm-tolyl methyl ketone

3'methylacetophenoneAcetophenone, mmethylAcetophenone, 3'methylRefChem:504117Ethanone, 1(3methylphenyl)Acetophenone, 3'methyl (8CI)DTXCID0042402Acetophenone, 3'-methyl-(8CI)

데이터베이스 식별자

CAS: 585-74-0
PubChem CID: 11455
DTXSID: DTXSID5074717
ChEBI: CHEBI:178621
UNII: V3KL17Y68N
EC Number: 209-561-8
Nikkaji: J45.640C

물성

구조 계산 물성

XLogP: 2.3
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

Vapor Pressure0.22 [mmHg]

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -9 °C · -9 °C (lit.)
끓는 점: 218 · 218-220 °C (lit.)
밀도: 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.529(lit.)
인화점: 185 °F · 185 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 혼합하기가 어렵습니다.
물리적 상태: 액체
Specific Gravity: 0.986 · 0.986
색상: 무색투명~미황색
BRN: 956637 · 956637
Henry's Law Constant: 1.5 · 1.5×100 mol/(m3Pa) at 25℃, Ji et al. (2008)
InChI: 1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
InChIKey: FSPSELPMWGWDRY-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(C)c1
LogP: 2.15 · 2.150
NIST: 1 · Ethanone, 1-(3-methylphenyl)-(585-74-0)
EPA: 1 · Ethanone, 1-(3-methylphenyl)- (585-74-0)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Ethanone, 1-(3-methylphenyl)-

Hazards SummaryMay cause irritation; Harmful by ingestion; [Sigma-Aldrich MSDS] See Acetophenone.

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29143990
risk_code: 22
hazard_code: Xn
safety_code: 23-24/25
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야

용도3'-Methylacetophenone is used in Pharmaceutical Intermediates and in Organic Intermediates.

상·하류 제품 정보

하류 제품

(S)-(-)-1-Phenylethanol 1-(2-Hydroxy-5-methylphenyl)ethanone 3-Acetylbenzoic acid 3-(4-Methoxyphenyl)-3'-methylpropiophenone 3-(3-Methylbenzoyl)quinoline Ethanone, 2-diazo-1-(3-methylphenyl)-

공급사50 곳

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

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