O-トリル酢酸メチル

Methyl 2-(2-methylphenyl)acetate

HCID 7021479

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 40851-62-5
標準SMILES: COC(=O)Cc1ccccc1C
InChIKey: BLEMRRXGTKTJGT-UHFFFAOYSA-N
分子式: C10H12O2
平均分子量: 164.2 g/mol
単同位体質量: 164.08372962

名称と識別子

優先名称: Methyl 2-(2-methylphenyl)acetate
IUPAC: methyl 2-(2-methylphenyl)acetate
現地名: O-トリル酢酸メチル
英語名: METHYL O-TOLYLACETATE
分子式: C10H12O2
分子量: 164.2

名称と別名

methyl 2-(2-methylphenyl)acetateRefChem:813281838-079-6Methyl o-tolylacetate40851-62-5Methyl 2-(o-tolyl)acetatemethyl 2-o-tolylacetateMFCD00082780methyl (2-methylphenyl)acetateBenzeneacetic acid, 2-methyl-, methyl ester2-Methyl-benzeneacetic acid methyl estermethyl 2-methylphenylacetate

名称をさらに表示

O-トリル酢酸メチルMethyl 2-(o-tolyl)2-Methylphenyl-acetic acid methyl ester

methyl 2-methylphenyl-acetateSCHEMBL265432SCHEMBL3424982methyl (2-methyl phenyl)acetateSCHEMBL30522283DTXSID40427373BLEMRRXGTKTJGT-UHFFFAOYSA-NQBA85162

データベース識別子

CAS: 40851-62-5
PubChem CID: 7021479
DTXSID: DTXSID40427373
EC Number: 838-079-6
Nikkaji: J2.444.509G

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 154

物理化学的性質

沸点: 70 · 70-71°C 1mm
比重(密度): 1.035 · 1.035±0.06 g/cm3(Predicted)
屈折率: 1.511 · 1.5110
闪点: 70 · 70-71°C/1mm
貯蔵温度: Store at room temperature
BRN: 2208739 · 2208739
CAS データベース: 40851 · 40851-62-5

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.