Methyl hydrogen oxalate

HCID 425440

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Basic information

CAS: 600-23-7
Standard SMILES: COC(=O)C(=O)O
InChIKey: CPKISUMKCULUNR-UHFFFAOYSA-N
Molecular formula: C3H4O4
Average molar mass: 104.06 g/mol

Names & identifiers

Preferred name: Methyl hydrogen oxalate
IUPAC: 2-methoxy-2-oxoacetic acid
English name: Ethanedioic acid, MonoMethyl ester
Molecular formula: C3H4O4
Molecular weight: 104.06

Names & synonyms

METHYL HYDROGEN OXALATERefChem:817786816-908-22-methoxy-2-oxoacetic acidmonomethyl oxalateEthanedioic acid, monomethyl ester1-Methyl ethanedioateMFCD00785869Ethanedioic acid, 1-methyl ester2-Methoxy-2-oxoacetateOxalsauremethylesterOxalic acid, methyl ester

Show more names

Lactic acid impurity 111

4SA2XQY8YZ2-methoxy-2-oxoaceticacid(methoxycarbonyl)formic acid2-methoxy-2-oxo-acetic acidOxalic acid, monomethyl esterSCHEMBL126786SCHEMBL5956700SCHEMBL8610470

Database identifiers

CAS: 600-23-7
PubChem CID: 425440
UNII: 4SA2XQY8YZ
EC Number: 816-908-2
Nikkaji: J95.049A

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 95.1

Physicochemical properties

Boiling point: 192.9 · 192.9±23.0 °C(Predicted)
Density: 1.366 · 1.366±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
pka: 1.45 · 1.45±0.54(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 319 · H319-H334
Precautionary statements: 261 · P261-P264-P280-P285-P304+P341-P305+P351+P338-P337+P313-P342+P311-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS08
Hazard statements: H319-H334
Precautionary statements: P261-P264-P280-P285-P304+P341-P305+P351+P338-P337+P313-P342+P311-P501