DL-2-HYDROXY-3-부텐산메틸에스테르

Methyl 2-hydroxybut-3-enoate

HCID 545123CAS 5837-73-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CC(O)C(=O)OC
InChIKey: JBKTVPSFVUFSAO-UHFFFAOYSA-N
분자식: C5H8O3
평균 분자량: 116.11 g/mol
단동위원소 질량: 116.04734412

이름 및 식별자

우선 이름: Methyl 2-hydroxybut-3-enoate
IUPAC: methyl 2-hydroxybut-3-enoate
현지명: DL-2-HYDROXY-3-부텐산메틸에스테르
영어명: DL-2-Hydroxy-3-butenoic acid methyl ester
분자식: C5H8O3
분자량: 116.12

이름 및 동의어

methyl 2-hydroxybut-3-enoate3-Butenoic acid, 2-hydroxy-, methyl esterJBKTVPSFVUFSAO-UHFFFAOYSA-RefChem:814472831-109-9InChI=1/C5H8O3/c1-3-4(6)5(7)8-2/h3-4,6H,1H2,2H35837-73-0Methyl DL-2-Hydroxy-3-butenoateDL-2-Hydroxy-3-butenoic Acid Methyl EsterMFCD00144164Methyl 2-hydroxy-3-butenoate2-hydroxy-3-butenoic acid methyl ester

이름 더 보기

DL-2-HYDROXY-3-부텐산메틸에스테르Cyhalofop-butyl Impurity 8METHYL 2-HYDROXY BUT-3-ENOATEMethylDL-2-Hydroxy-3-butenoate>DL-2-Hydroxy-3-butenoic acid methyl ester2-HYDROXY-3-BUTENOIC ACID METHYL ESTER 96+%

methyl vinyl glycolateSCHEMBL615765SCHEMBL6724896Methyl 2-hydroxy-3-butenoate #DTXSID30337851FAA83773AKOS009158889SB83907

데이터베이스 식별자

CAS: 5837-73-0
PubChem CID: 545123
DTXSID: DTXSID30337851
EC Number: 831-109-9
Nikkaji: J2.522.984C

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 97.8

물리화학적 성질

끓는 점: 64 °C · 64°C 10mm
밀도: 1 · 1,11 g/cm3
굴절률: 1.437 · 1.4370-1.4420
산도 계수 (pKa): 12.26 · 12.26±0.20(Predicted)
물리적 상태: 액체
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.