CAS 17653-94-0 2-(3-Methoxyphenyl)-2-methylpropanoic acid (HCID 10821634)

基本情報

CAS: 17653-94-0
標準SMILES: COc1cccc(C(C)(C)C(=O)O)c1
InChIKey: AJBGTOYTKPVUPX-UHFFFAOYSA-N
分子式: C11H14O3
平均分子量: 194.23 g/mol
単同位体質量: 194.0942943

名称と識別子

優先名称: 2-(3-Methoxyphenyl)-2-methylpropanoic acid
IUPAC: 2-(3-methoxyphenyl)-2-methylpropanoic acid
現地名: 2-(3-メトキシフェニル)-2-メチルプロパン酸
英語名: 2-(3-methoxyphenyl)-2-methylpropanoic acid
分子式: C11H14O3
分子量: 194.23

名称と別名

2-(3-Methoxyphenyl)-2-methylpropanoic acid17653-94-0DTXSID30445344RefChem:455680DTXCID30396165866-833-4MFCD09414710Benzeneacetic acid, 3-methoxy-alpha,alpha-dimethyl-2-(3-Methoxyphenyl)-2-methylpropanoicacid2-(3-Methoxy-phenyl)-2-methyl-propionic acidSCHEMBL1356271AJBGTOYTKPVUPX-UHFFFAOYSA-N

名称をさらに表示

2-(3-メトキシフェニル)-2-メチルプロパン酸2-(3-Methoxy-phenyl)-2-Methyl-propionicacidBenzeneacetic acid, 3-methoxy-α,α-dimethyl-2-(3-Methoxyphenyl)-2-methylpropionic acid, 3-(2-Carboxyprop-2-yl)anisole

SAA65394SBB052611AKOS010514988PS-5140SY110279DB-010865CS-0448486Benzeneacetic acid, 3-methoxy-|A,|A-dimethyl-

データベース識別子

CAS: 17653-94-0
PubChem CID: 10821634
DTXSID: DTXSID30445344
EC Number: 866-833-4
Nikkaji: J1.051.164J

物性

構造計算による物性

XLogP: 2.3
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 211

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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)

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