1-(3,5-Dimethylphenyl)ethan-1-one

HCID 14921CAS 1335-42-8

基本情報

標準SMILES: CC(=O)c1cc(C)cc(C)c1
InChIKey: BKIHFZLJJUNKMZ-UHFFFAOYSA-N
分子式: C10H12O
平均分子量: 148.2 g/mol
単同位体質量: 148.088815

名称と識別子

優先名称: 1-(3,5-Dimethylphenyl)ethan-1-one
IUPAC: 1-(3,5-dimethylphenyl)ethanone
英語名: 1-(dimethylphenyl)ethan-1-one
分子式: C10H12O
分子量: 148.20168

名称と別名

1-(3,5-dimethylphenyl)ethan-1-oneEthanone, 1-(dimethylphenyl)-DTXSID80928152EINECS 215-632-4RefChem:422960DTXCID501315162676-296-61-(3,5-dimethylphenyl)ethanone5379-16-83,5-Dimethylacetophenone3',5'-Dimethylacetophenone1335-42-8

名称をさらに表示

MFCD010756931-(Dimethylphenyl)ethan-1-oneETHANONE, 1-(3,5-DIMETHYLPHENYL)-SCHEMBL956953',5'-dimethyl acetophenoneAB08165Z608067730?3,5-dimethylacetophenone

データベース識別子

CAS: 1335-42-8、5379-16-8
PubChem CID: 14921
DTXSID: DTXSID80928152
ChEMBL: CHEMBL558696
EC Number: 215-632-4、676-296-6
Nikkaji: J1.453.450D

物性

構造計算による物性

XLogP: 2.4
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: 11
形式電荷: 0
複雑度: 141

物理化学的性質

化粧品成分の機能: 香料
LogP: 1.914 · 1.914 (est)
EPAの化学物質情報: 1 · Ethanone, 1-(dimethylphenyl)- (1335-42-8)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.