(4-エチルフェニル)酢酸

(4-エチルフェニル)酢酸 · 4-Ethylbenzeneacetic acid · (4-ethylphenyl)acetic acid · benzeneacetic acid, 4-ethyl- · 2-(4-ethylphenyl)acetic acid · 2-(4-ethylphenyl)ethanoic acid · (4-ethylphenyl)acetic acid(SALTDATA: FREE)

https://huagongshe.com/ja/chemical/84403

識別子と物理属性

CAS No.	14387-10-1
分子式	C10H12O2
平均分子量	164.2 g/mol
単同位体質量	164.08372962 g/mol
SMILES	CCc1ccc(CC(=O)O)cc1
InChIKey	QMBLXRHXCGJOGU-UHFFFAOYSA-N
PubChem CID	84403
EC No.	802-180-3
DTXSID	DTXSID30162564
現地名	(4-エチルフェニル)酢酸

化学・物理的性質

XLogP	2.3
極性表面積	37.3
水素結合供与体数	1
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	146
LogP（分配係数）	2.43
貯蔵条件	2-8°C
pKa（酸解離定数）	pK1:4.373 (25°C)

安全性と法規制

GHS 分類	WarningH315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
危険等級	IRRITANT

用途

使用

(4-Ethylphenyl)acetic acid is a reagent used in the synthesis of p-Ethylhydratropic Acid (E918820), which is an impurity of ibuprofen (I140000).