Methyl oxirane-2-carboxylate

HCID 145751CAS 4538-50-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)C1CO1
InChIKey: YKNYRRVISWJDSR-UHFFFAOYSA-N
Summenformel: C4H6O3
Durchschnittliche Molmasse: 102,09 g/mol
Monoisotopische Masse: 102,03169405

Namen und Bezeichner

Bevorzugter Name: Methyl oxirane-2-carboxylate
IUPAC: methyl oxirane-2-carboxylate
Englischer Name: Glycidic acid methyl ester
Summenformel: C4H6O3
Molmasse: 102.09

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 38,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 88,9

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300°C
Siedepunkt: 97.4 · 97.4±15.0 °C(Predicted)
Dichte: 1.246 · 1.246±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, Inert atmosphere
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
InChI: InChI=1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3
InChIKey: YKNYRRVISWJDSR-UHFFFAOYSA-N
SMILES: O1CC1C(OC)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

ridadr: UN1993
hs_code: 2916200090
hazard_class: 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 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.