Methyl formate
  • CAS Number 107-31-3
  • Catalog Number io-2666
  • Classification Esters
  • Molecular Weight 60.0500
  • SMILES COC=O
Size QTY Notes
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Methyl formate is a formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 ℃) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. It has a role as a polar aprotic solvent, a fumigant, an insecticide and a refrigerant. It is a formate ester, a methyl ester and a volatile organic compound. It is functionally related to a methanol.

1 METHYL FORMATE
2 Formic acid, methyl ester
3 Methyl methanoate
4 Formic acid methyl ester
5 Methylformiat
Molecular Formula C2H4O2
Canonical SMILES COC=O
Isomeric SMILES COC=O
Molecular Weight 60.0500
InChIKey TZIHFWKZFHZASV-UHFFFAOYSA-N
InChI InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
XLogP 0.0000
ExactMass 60.0211
MonoisotopicMass 60.0211
TPSA 26.3000
Complexity 18.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 2
RotatableBondCount 1
HeavyAtomCount 4
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 104011
PatentFamilyCount 40624
LiteratureCount 2345