글리시드산메틸에스테르

Methyl oxirane-2-carboxylate

HCID 145751CAS 4538-50-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CO1
InChIKey: YKNYRRVISWJDSR-UHFFFAOYSA-N
분자식: C4H6O3
평균 분자량: 102.09 g/mol
단동위원소 질량: 102.03169405

이름 및 식별자

우선 이름: Methyl oxirane-2-carboxylate
IUPAC: methyl oxirane-2-carboxylate
현지명: 글리시드산메틸에스테르
영어명: Glycidic acid methyl ester
분자식: C4H6O3
분자량: 102.09

이름 및 동의어

methyl oxirane-2-carboxylateDTXSID50963378RefChem:818006DTXCID90837680610-247-14538-50-5Glycidic acid methyl esterMethyl glycidateOxiranecarboxylic acid, methyl esterMFCD17676228Cucurbitaceaebitter cucumber

이름 더 보기

글리시드산메틸에스테르Methyl oxiranecarboxylateMethyl 2-oxiranecarboxylate2-Oxiranecarboxylic acid, methyl estermethyl oxirane-2-carboxylate - [M23745]

methyl 2,3-epoxypropionateMethyl-2,3-epoxypropanoateMethyl (2S)-2,3-epoxypropanoatemethyl epoxypropionateMethyl(2R)-glycidate; Methyl(2R)-oxirane-2-carboxylateCOC(=O)C1CO1Methyl 2-oxiranecarboxylate #SCHEMBL839705

데이터베이스 식별자

CAS: 4538-50-5
PubChem CID: 145751
DTXSID: DTXSID50963378
EC Number: 610-247-1
Nikkaji: J455.920G

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

녹는점: 300 °C · >300°C
끓는 점: 97.4 · 97.4±15.0 °C(Predicted)
밀도: 1.246 · 1.246±0.06 g/cm3(Predicted)
저장 조건: -20 °C, · -20°C, Inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3
InChIKey: YKNYRRVISWJDSR-UHFFFAOYSA-N
SMILES: O1CC1C(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

ridadr: UN1993
HS 번호: 2916200090
위험 등급: 3

화학 및 산업

응용 분야 · 1건

용도Methyl Oxirane-2-carboxylate is an intermediate used in the synthesis of DL-Indole-3-lactic Acid-d5 (I627102), which is the isotope labelled analog of DL-Indole-3-lactic Acid (I627100); a reagent in the synthesis of 2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one which has weak antibacterial activity against 16 bacterial strains, including Escherichia coli, Bacillus subtilis and Staphylococcus aureus. DL-Indole-3-lactic Acid is also used in the preparation of Monatin, a natural sweet peptidomimetic.