CAS 118712-39-3 Methyl (2S)-2-oxiranecarboxylate (HCID 10942355)

기본 정보

CAS: 118712-39-3
표준 SMILES: COC(=O)[C@@H]1CO1
InChIKey: YKNYRRVISWJDSR-VKHMYHEASA-N
분자식: C4H6O3
평균 분자량: 102.09 g/mol
단동위원소 질량: 102.03169405

이름 및 식별자

우선 이름: Methyl (2S)-2-oxiranecarboxylate
IUPAC: methyl (2S)-oxirane-2-carboxylate
영어명: Methyl (2S)-glycidate
분자식: C4H6O3
분자량: 102.09

이름 및 동의어

118712-39-3Methyl (2S)-2-oxiranecarboxylateDTXSID101301062RefChem:812178DTXCID001731163Methyl (2S)-glycidatemethyl (2S)-oxirane-2-carboxylate(S)-Methyl oxirane-2-carboxylatemethyl (S)-glycidate(S)-Methylglycidate(2S)-MethylglycidateMFCD00274190

이름 더 보기

(2S)-Methylglycidate 98%Methyl-2,3-epoxypropanoateMETHYL-(S)-OXIRANECARBOXYLATEMethyl (2S)-2,3-epoxypropanoate

SCHEMBL839706AC2359CS-11759CS-0063139Oxiranecarboxylic acid, methyl ester, (2S)-(S)-methyl glycidateMethyl(2S)-glycidate1-(3-Aminopropyl)adamantanehydrochloride

데이터베이스 식별자

CAS: 118712-39-3
PubChem CID: 10942355
DTXSID: DTXSID101301062
EC Number: 601-557-8
Nikkaji: J623.385F

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 38.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 88.9

물리화학적 성질

끓는 점: 70 ℃/11mm · 70℃/11mm
밀도: 1.166 g/mL · 1.166 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.42(lit.)
인화점: 72 °C · 72 °C
저장 조건: 2 · 2-8°C
Specific Gravity: 1.166 · 1.166
InChI: 1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3/t3-/m0/s1
InChIKey: YKNYRRVISWJDSR-VKHMYHEASA-N
SMILES: COC(=O)[C@@H]1CO1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.