CAS 81947-94-6 Butyl 2-(4-hydroxyphenoxy)propanoate (HCID 12919928)

基本情報

CAS: 81947-94-6
標準SMILES: CCCCOC(=O)C(C)Oc1ccc(O)cc1
InChIKey: MPNXVFDGEQKYAY-UHFFFAOYSA-N
分子式: C13H18O4
平均分子量: 238.28 g/mol

名称と識別子

優先名称: Butyl 2-(4-hydroxyphenoxy)propanoate
IUPAC: butyl 2-(4-hydroxyphenoxy)propanoate

名称と別名

butyl 2-(4-hydroxyphenoxy)propanoate81947-94-6RefChem:571647858-356-5Propanoic acid, 2-(4-hydroxyphenoxy)-, butyl esterSCHEMBL10486641butyl2-(4-hydroxyphenoxy)propanoatebutyl 2-(4-hydroxyphenoxy)propionaten-butyl 2-(4-hydroxyphenoxy)-propionatep-hydroxyphenoxypropionic acid butyl ester(+)-butyl 2-(4-hydroxyphenoxy)propionate(R)-butyl 4-(2-hydroxyphenoxy)propanoate

名称をさらに表示

EN300-86012G49736Z1245537591

データベース識別子

CAS: 81947-94-6
PubChem CID: 12919928
EC Number: 858-356-5

物性

構造計算による物性

XLogP: 3.1
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 7
重原子数: 17
形式電荷: 0
複雑度: 221

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.