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

기본 정보

CAS: 217195-91-0
표준 SMILES: C=C(C)CC(O)(C(=O)OCC)C(F)(F)F
InChIKey: OUJRZMYAWPFRSV-UHFFFAOYSA-N
분자식: C9H13F3O3
평균 분자량: 226.19 g/mol

이름 및 식별자

우선 이름: Ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
IUPAC: ethyl 2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
영어명: ETHYL 2-HYDROXY-2-(TRIFLUOROMETHYL)-4-METHYLPENT-4-ENOATE 97
분자식: C9H13F3O3
분자량: 226.19

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 260

물리화학적 성질

물리적 상태: 액체
색상: Clear, colourless

안전 및 규제

GHS 분류

GHS Classification · 4건

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.