Methyl oxirane-2-carboxylate (HCID 145751)

Names & identifiers

Preferred name: Methyl oxirane-2-carboxylate
IUPAC: methyl oxirane-2-carboxylate
English name: Glycidic acid methyl ester
Molecular formula: C4H6O3
Molecular weight: 102.09

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 88.9

Physicochemical properties

Melting point: 300 °C · >300°C
Boiling point: 97.4 · 97.4±15.0 °C(Predicted)
Density: 1.246 · 1.246±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, Inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: 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
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P241-P362+P364
RIDADR: 1993 · UN1993
HazardClass: 3 · 3
HS Code: 2916200090 · 2916200090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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

Safety data

ridadr: UN1993
hs_code: 2916200090
Signal word: Warning
Symbol(GHS): GHS02
hazard_class: 3
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210-P241-P362+P364

Chemistry & industry

Applications · 1 item

UsesMethyl 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.