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Record Information
Version1.0
Creation Date2016-09-30 22:20:06 UTC
Update Date2020-06-04 20:52:42 UTC
MCDB ID BMDB0000142
Secondary Accession Numbers
  • BMDB00142
Metabolite Identification
Common NameFormic acid
DescriptionFormic acid, also known as formate or ameisensaeure, belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Formic acid exists as a liquid, possibly soluble (in water), and a weakly acidic compound (based on its pKa) molecule. Formic acid exists in all living species, ranging from bacteria to humans.
Structure
Thumb
Synonyms
ValueSource
Acide formiqueChEBI
AmeisensaeureChEBI
Aminic acidChEBI
BilorinChEBI
Formylic acidChEBI
H-COOHChEBI
HCO2HChEBI
HCOOHChEBI
Hydrogen carboxylic acidChEBI
Methanoic acidChEBI
Methoic acidChEBI
AminateGenerator
FormylateGenerator
Hydrogen carboxylateGenerator
MethanoateGenerator
MethoateGenerator
FormateGenerator
Add-FHMDB
AmeisensaureHMDB
Collo-bueglattHMDB
Collo-didaxHMDB
FormiraHMDB
FormisotonHMDB
Methanoic acid monomerHMDB
MyrmicylHMDB
Sodium formateHMDB
SybestHMDB
Wonderbond hardener m 600lHMDB
Calcium formateHMDB
Cobalt(II) formate dihydrateHMDB
Formic acid, aluminum saltHMDB
Formic acid, copper saltHMDB
Formic acid, cromium (+3) saltHMDB
Lithium formateHMDB
Ammonium formateHMDB
Formic acid, ammonium (4:1) saltHMDB
Formic acid, ammonium saltHMDB
Formic acid, calcium saltHMDB
Formic acid, copper (+2) saltHMDB
Formic acid, lead (+2) saltHMDB
Formic acid, lead saltHMDB
Formic acid, nickel saltHMDB
Formic acid, potassium saltHMDB
Formic acid, strontium saltHMDB
MafusolHMDB
Ammonium tetraformateHMDB
Formic acid, 14C-labeledHMDB
Formic acid, cobalt (+2) saltHMDB
Formic acid, copper, ammonium saltHMDB
Formic acid, sodium saltHMDB
Formic acid, sodium salt, 14C-labeledHMDB
Formic acid, ammonium (2:1) saltHMDB
Formic acid, cadmium saltHMDB
Formic acid, cesium saltHMDB
Formic acid, copper, nickel saltHMDB
Formic acid, cromium (+3), sodium (4:1:1) saltHMDB
Formic acid, lithium saltHMDB
Formic acid, magnesium saltHMDB
Formic acid, nickel (+2) saltHMDB
Formic acid, rubidium saltHMDB
Formic acid, sodium salt, 13C-labeledHMDB
Formic acid, thallium (+1) saltHMDB
Formic acid, zinc saltHMDB
Nickel formate dihydrateHMDB
Aluminum formateHMDB
Potassium formateHMDB
Strontium formateHMDB
Lead formateHMDB
Nickel formateHMDB
Chromic formateHMDB
Cobaltous formateHMDB
Cupric formateHMDB
Magnesium formateHMDB
Zinc formateHMDB
Chemical FormulaCH2O2
Average Molecular Weight46.0254
Monoisotopic Molecular Weight46.005479308
IUPAC Nameformic acid
Traditional Nameformic acid
CAS Registry Number64-18-6
SMILES
OC=O
InChI Identifier
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI KeyBDAGIHXWWSANSR-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point8.4 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1000 mg/mLNot Available
LogP-0.54HANSCH,C ET AL. (1995)
Predicted Properties
PropertyValueSource
logP-0.47ALOGPS
logP-0.27ChemAxon
logS1.02ALOGPS
pKa (Strongest Acidic)4.27ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.15 m³·mol⁻¹ChemAxon
Polarizability3.37 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9000000000-5d27bb312e37a2c8994fJSpectraViewer | MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0fmi-9200000000-2a89ba98485194acd75aJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-092f816e62c8d2f5d56eJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-092f816e62c8d2f5d56eJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-092f816e62c8d2f5d56eJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-eb2207f7400e9144fff7JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-eb2207f7400e9144fff7JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-eb2207f7400e9144fff7JSpectraViewer | MoNA
MSMass Spectrum (Electron Ionization)splash10-004j-9000000000-2e63b0c1e2e417b0d747JSpectraViewer | MoNA
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
2D NMR[1H,1H] 2D NMR SpectrumNot AvailableJSpectraViewer
2D NMR[1H,13C] 2D NMR SpectrumNot AvailableJSpectraViewer
Concentrations
StatusValueReferenceDetails
Detected but not QuantifiedNot Applicable details
Detected and Quantified15 +/- 1 uMFree fatty acid details
Detected and Quantified16 +/- 1 uMFree fatty acid details
Detected and Quantified15.6 +/- 0.3 uMFree fatty acid details
Detected and Quantified16 +/- 1 uMFree fatty acid details
Detected and Quantified116 +/- 2 uMFree fatty acid details
Detected and Quantified115 +/- 3 uMFree fatty acid details
Detected and Quantified117 +/- 2 uMFree fatty acid details
Detected and Quantified15.9 (3.3 - 24) uMFree fatty acid
  • Harper, W. J., Go...
details
Detected and Quantified12.9 (1.9 - 28) uMFree fatty acid
  • Harper, W. J., Go...
details
Detected and Quantified17.7 (4.3 - 46) uMFree fatty acid
  • Harper, W. J., Go...
details
Detected and Quantified160 (103 - 380) uMFree fatty acid
  • Harper, W. J., Go...
details
HMDB IDHMDB0000142
DrugBank IDDB01942
Phenol Explorer Compound IDNot Available
FoodDB IDFDB012804
KNApSAcK IDC00001182
Chemspider IDNot Available
KEGG Compound IDC00058
BioCyc IDFORMATE
BiGG IDNot Available
Wikipedia LinkFormic_acid
METLIN IDNot Available
PubChem Compound284
PDB IDNot Available
ChEBI ID30751
References
Synthesis ReferenceFinholt, Albert E.; Jacobson, Eugene C. The reduction of carbon dioxide to formic acid with lithium aluminum hydride. Journal of the American Chemical Society (1952), 74 3943-4.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sundekilde UK, Gustavsson F, Poulsen NA, Glantz M, Paulsson M, Larsen LB, Bertram HC: Association between the bovine milk metabolome and rennet-induced coagulation properties of milk. J Dairy Sci. 2014 Oct;97(10):6076-84. doi: 10.3168/jds.2014-8304. Epub 2014 Jul 30. [PubMed:25087032 ]
  2. O'Callaghan TF, Vazquez-Fresno R, Serra-Cayuela A, Dong E, Mandal R, Hennessy D, McAuliffe S, Dillon P, Wishart DS, Stanton C, Ross RP: Pasture Feeding Changes the Bovine Rumen and Milk Metabolome. Metabolites. 2018 Apr 6;8(2). pii: metabo8020027. doi: 10.3390/metabo8020027. [PubMed:29642378 ]
  3. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.