CAS 217195-91-0 Ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate (HCID 17935595)

基本情報

CAS: 217195-91-0
標準SMILES: C=C(C)CC(O)(C(=O)OCC)C(F)(F)F
InChIKey: OUJRZMYAWPFRSV-UHFFFAOYSA-N
分子式: C9H13F3O3
平均分子量: 226.19 g/mol

名称と識別子

優先名称: Ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
IUPAC: ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
現地名: 2-ヒドロキシ-2-トリフルオロメチル-4-メチレン吉草酸エチル
英語名: ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)-4-METHYLPENT-4-ENOATE 97
分子式: C9H13F3O3
分子量: 226.19

名称と別名

217195-91-0Ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoateRefChem:594416689-329-4ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)-4-METHYLPENT-4-ENOATEMFCD08532486C9H13F3O32-Hydroxy-4-methyl-2-(trifluoromethyl)-pent-4-enoic acid ethyl esterETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)-4-METHYLPENT-4-ENOATE 97SCHEMBL14925682-hydroxy-4-methyl-2-trifluoromethylpent-4-enoic acid ethyl ester2-hydroxy-4-methyl-2-trifluoromethyl-pent-4-enoic acid ethyl ester

名称をさらに表示

エチル 2-ヒドロキシ-4-メチル-2-(トリフルオロメチル)ペンタ-4-エノアート2-ヒドロキシ-2-トリフルオロメチル-4-メチレン吉草酸エチル2-(Ethoxycarbonyl)-4-methyl-1,1,1-trifluoropent-4-en-2-olEthyl2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate97%Ethyl 2-hydroxy-2-(trifluoromethyl)-4-methylpent-4-enoate 97%Ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate 97%2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoic acid ethyl ester2-hydroxy-4-methyl-2-(trifluoromethyl)-4-pentenoic acid ethyl ester

SBB096943AKOS005063426DA-43227MS-20814CS-0212202Ethyl 2-Hydroxy-2-(trifluoromethyl)-4-methyl-4-pentenoateEthyl2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate2-hydroxy-4-methylene-2-(trifluoromethyl)pentanoic acid ethyl ester

データベース識別子

CAS: 217195-91-0
PubChem CID: 17935595
EC Number: 689-329-4
Nikkaji: J3.173.190I

物性

構造計算による物性

XLogP: 2.5
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: 6
回転可能結合数: 5
重原子数: 15
形式電荷: 0
複雑度: 260

物理化学的性質

外見: liquid
色: Clear, colourless

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, P317, 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.