CAS 1151713-51-7 Ethyl 2-(acetylthio)-2-methylpropanoate (HCID 57937863)

基本情報

CAS: 1151713-51-7
標準SMILES: CCOC(=O)C(C)(C)SC(C)=O
InChIKey: HBIAHXSWNHKUNY-UHFFFAOYSA-N
分子式: C8H14O3S
平均分子量: 190.26 g/mol

名称と識別子

優先名称: Ethyl 2-(acetylthio)-2-methylpropanoate
IUPAC: ethyl 2-acetylsulfanyl-2-methylpropanoate

名称と別名

1151713-51-7Ethyl 2-(acetylthio)-2-methylpropanoateRefChem:593950801-735-72-Acetylsulfanyl-2-methylpropionic acid ethyl esterethyl 2-acetylsulfanyl-2-methylpropanoateethyl 2-(acetylsulfanyl)-2-methylpropanoateSCHEMBL469311HBIAHXSWNHKUNY-UHFFFAOYSA-NMFCD28362805ethyl 2-acetylsulfanyl-2-methyl-propanoate2-acetylsulfanyl-2-methyl-propionic acid ethyl ester

名称をさらに表示

A1-06412

データベース識別子

CAS: 1151713-51-7
PubChem CID: 57937863
EC Number: 801-735-7

物性

構造計算による物性補完中

XLogP: 1.5
極性表面積: 68.7 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 187

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P316, P321, P330, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.