1-(4-Methylphenyl)propan-2-one

HCID 137428

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2096-86-8
표준 SMILES: CC(=O)Cc1ccc(C)cc1
InChIKey: NOXKUHSBIXPZBJ-UHFFFAOYSA-N
분자식: C10H12O
평균 분자량: 148.2 g/mol
단동위원소 질량: 148.088815

이름 및 식별자

우선 이름: 1-(4-Methylphenyl)propan-2-one
IUPAC: 1-(4-methylphenyl)propan-2-one
영어명: 4-Methylphenylacetone
분자식: C10H12O
분자량: 148.2

이름 및 동의어

1-(4-methylphenyl)propan-2-oneRefChem:425924641-172-24-Methylphenylacetone2096-86-81-(p-tolyl)propan-2-one2-Propanone, 1-(4-methylphenyl)-1-(4-methylphenyl)-2-propanone1-(4-Methylphenyl)acetonep-Methylphenyl acetone4-Methylphenyl acetoneMFCD00017250

이름 더 보기

p-Tolylaceton4-TOLYLACETONE(P-METHYLPHENYL)ACETONE4-Methyl benzene, acetone4-Methylphenylacetone,98%4-METHYLPHENYLACETONE 98%

3-(4-methylphenyl)-2-propanonep-Methylphenylacetone1-p-tolylpropan-2-one(4-methylphenyl)propanone1-(p-tolyl)-2-propanoneSCHEMBL815594-Methylphenylacetone, 90%ghl.PD_Mitscher_leg0.368

데이터베이스 식별자

CAS: 2096-86-8
PubChem CID: 137428
DTXSID: DTXSID00175141
EC Number: 641-172-2
Nikkaji: J515.590H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 132 °C · 132 °C
밀도: 0.96 · 0.96
굴절률: 1.513 · 1.5130 (estimate)
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6H,7H2,1-2H3
InChIKey: NOXKUHSBIXPZBJ-UHFFFAOYSA-N
SMILES: C(C1=CC=C(C)C=C1)C(=O)C

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.