2-Methyl-2-phenylpropanal

HCID 283879CAS 3805-10-5

基本情報

標準SMILES: CC(C)(C=O)c1ccccc1
InChIKey: RJOWHRLIQNKYKW-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: 2-Methyl-2-phenylpropanal
IUPAC: 2-methyl-2-phenylpropanal
英語名: 2-methyl-2-phenylpropanal
分子式: C10H12O
分子量: 148.2

名称と別名

2-Methyl-2-phenylpropanalDTXSID70300822RefChem:475192DTXCID80251957824-777-83805-10-5MFCD120318362-Methyl-2-phenyl-propanalBenzeneacetaldehyde, a,a-dimethyl-NSC139130PhenyldimethylacetaldehydSCHEMBL43182

名称をさらに表示

Benzeneacetaldehyde, α,α-dimethyl-

SCHEMBL567342-Methyl-2-phenylpropanal #SCHEMBL276351152-methyl-2-phenyl-propionaldehydeAKOS012321794AT22663NSC-139130Benzeneacetaldehyde, alpha,alpha-dimethyl-

データベース識別子

CAS: 3805-10-5
PubChem CID: 283879
DTXSID: DTXSID70300822
EC Number: 824-777-8
Nikkaji: J846.655F

物性

構造計算による物性

XLogP: 2.3
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: 2
重原子数: 11
形式電荷: 0
複雑度: 132

物理化学的性質

沸点: 215 · 215-218 °C
比重(密度): 0.965 · 0.965±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.