Methyl pyruvate

IUPAC: methyl 2-oxopropanoate

CAS 600-22-6 C4H6O3

Methyl pyruvate (CAS 600-22-6) is a chemical compound with molecular formula C4H6O3 and molecular weight 102.09 g/mol . GHS signal word: Warning. Hazard classifications: Flammable, Health Hazard.

What is Methyl pyruvate?

Molecular Formula
C4H6O3
Molecular Weight
102.09 g/mol

Description

Methyl pyruvate is a pyruvate ester resultinf grom the formal condensation of the carboxy group of pyruvic acid with the hydroxy group of methanol. It is a methyl ester and a pyruvate ester. It is functionally related to a pyruvic acid.

Structure Identifiers

SMILES
CC(=O)C(=O)OC
InChI
InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
InChIKey
CWKLZLBVOJRSOM-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
102.0317 Da
XLogP
0.00
TPSA
43.4 Ų
H-Bond Donors
0
H-Bond Acceptors
3
Complexity
95
Formal Charge
0

Safety information

Signal Word

Warning

GHS Pictograms

GHS pictogram: Flammable GHS02
GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H226 Flammable liquid and vapour

Precautionary Statements

  • P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
  • P233 Keep container tightly closed
  • P240 Ground/bond container and receiving equipment
  • P241 Use explosion-proof electrical/ventilating/lighting equipment
  • P242 Use only non-sparking tools
  • P243 Take precautionary measures against static discharge
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P370+P378 In case of fire: Use appropriate media for extinction
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P403+P235 Store in a well-ventilated place. Keep cool
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (57)

  • P0580
  • E76480
  • F094169
  • FS-4178
  • 600-22-6
  • FM171262
  • NSC65430
  • QSPL 174
  • 209-987-4
  • BBL027724
  • NSC 65430
  • NSC-65430
  • Q27122826
  • STL146492
  • 3KJM65G5XL
  • CS-W013701
  • F1905-6998
  • NS00022475
  • orb3023688
  • CHEBI:51850
  • EN300-21088
  • CAS-600-22-6
  • MFCD00008754
  • SCHEMBL27432
  • Tox21_202853
  • AKOS005721076
  • CHEMBL3185405
  • DTXCID8029282
  • DTXSID9049326
  • Methylpyruvate
  • RefChem:818068
  • SCHEMBL9308800
  • METHYL PYRUVATE
  • methyl-Pyruvate
  • NCGC00260399-01
  • UNII-3KJM65G5XL
  • EINECS 209-987-4
  • METHYL ACETOFORMATE
  • METHYL PYRORACEMATE
  • Methyl 2-oxopropanoate
  • Methyl 2-oxopropionate
  • Tiapride Intermediates
  • Methyl 2-oxopropanoate #
  • pyruvic acid methylester
  • Pyruvic acid methyl ester
  • Pyruvic acid, methyl ester
  • METHYL METHOXYCARBONYL KETONE
  • PYRORACEMIC ACID METHYL ESTER
  • PYRUVIC ACID METHYL ESTER [MI]
  • 2-oxopropanoic acid methyl ester
Show 7 more names
  • 2-oxopropionic acid methyl ester
  • 2-oxo-propionic acid methyl ester
  • Methylglyoxylic acid methyl ester
  • InChI=1/C4H6O3/c1-3(5)4(6)7-2/h1-2H
  • Propanoic acid, 2-oxo-,methyl ester
  • Propanoic acid, 2-oxo-, methyl ester
  • Methyl pyruvate, 90%, technical grade

Frequently asked questions

What is the CAS number of Methyl pyruvate?

The CAS Registry Number for Methyl pyruvate is 600-22-6.

What is the IUPAC name of Methyl pyruvate?

The IUPAC name of Methyl pyruvate is methyl 2-oxopropanoate.

What is the molecular formula of Methyl pyruvate?

Methyl pyruvate has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol.

What is the SMILES notation for Methyl pyruvate?

The SMILES notation for Methyl pyruvate is CC(=O)C(=O)OC.

Is Methyl pyruvate hazardous?

Methyl pyruvate carries the following GHS hazard classifications: Flammable, Health Hazard. Signal word: Warning.

What are other names for Methyl pyruvate?

Methyl pyruvate is also known as 2-oxo-propionic acid methyl ester, 2-oxopropanoic acid methyl ester, 2-oxopropionic acid methyl ester, 209-987-4, 3KJM65G5XL.

Data sourced from PubChem CID 11748. Last updated .

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