Methyl oxirane-2-carboxylate

HCID 145751CAS 4538-50-5

基本情報

標準SMILES: COC(=O)C1CO1
InChIKey: YKNYRRVISWJDSR-UHFFFAOYSA-N
分子式: C4H6O3
平均分子量: 102.09 g/mol
単同位体質量: 102.03169405

名称と識別子

優先名称: Methyl oxirane-2-carboxylate
IUPAC: methyl oxirane-2-carboxylate
英語名: Glycidic acid methyl ester
分子式: C4H6O3
分子量: 102.09

名称と別名

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

名称をさらに表示

Methyl 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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.2
極性表面積: 38.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 88.9

物理化学的性質

融点: 300 °C · >300°C
沸点: 97.4 · 97.4±15.0 °C(Predicted)
比重(密度): 1.246 · 1.246±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C, · -20°C, Inert atmosphere
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
InChI: InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3
InChIKey: YKNYRRVISWJDSR-UHFFFAOYSA-N
SMILES: O1CC1C(OC)=O

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

ridadr: UN1993
hs_code: 2916200090
hazard_class: 3

化学と産業

応用分野 · 1 件

使用Methyl 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.