Ethyl (2E)-3-ethoxy-2-butenoate

HCID 5354173

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5331-73-7
표준 SMILES: CCOC(=O)/C=C(\C)OCC
InChIKey: ZOCYCSPSSNMXBU-VOTSOKGWSA-N
분자식: C8H14O3
평균 분자량: 158.19 g/mol
단동위원소 질량: 158.09429431

개요

See also: 2-Butenoic acid, 3-ethoxy-, ethyl ester (annotation moved to).

이름 및 식별자

우선 이름: Ethyl (2E)-3-ethoxy-2-butenoate
IUPAC: ethyl (E)-3-ethoxybut-2-enoate
영어명: Ethyl 3-ethoxybut-2-enoate
분자식: C8H14O3
분자량: 158.2

이름 및 동의어

57592-45-7Ethyl (2E)-3-ethoxy-2-butenoateethyl trans-3-ethoxycrotonateNSC-2321NSC-22411928C6ULL9XYDTXSID501303315RefChem:1084661DTXCID30212710620-908-6Ethyl 3-ethoxybut-2-enoateEthyl 3-ethoxy-2-butenoate

이름 더 보기

LABOTEST-BB LT01148096Ethyl Acetate Impurity 135(2E)-Ethyl 3-ethoxycrotonat

Ethyl 3-ethoxy-cis-crotonateethyl (E)-3-ethoxybut-2-enoateEthyl 3-ethoxycrotonateethyl (2E)-3-ethoxybut-2-enoate5331-73-7MFCD000269322-Butenoic acid, 3-ethoxy-, ethyl ester, (2E)-3-Ethoxy-2-butenoic acid ethyl ester

데이터베이스 식별자

CAS: 5331-73-7、57592-45-7、998-91-4
PubChem CID: 5354173
DTXSID: DTXSID501303315
UNII: 28C6ULL9XY
EC Number: 610-985-4、620-908-6
Nikkaji: J1.576.792H、J133.518I

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 30 · 30-32 °C(lit.)
끓는 점: 195 · 195-200 °C(lit.)
밀도: 1.0543 · 1.0543 (rough estimate)
굴절률: 1.429 · 1.4290 (estimate)
인화점: 137 °F · 137 °F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Butenoic acid, 3-ethoxy-, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Sol. 1 (100%)