Methyl formate

Athanor · official

C₂H₄O₂ · 60.05 g/mol

Also called methyl methanoate

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerExtremely flammable liquid and vapor · Harmful if swallowed · Causes serious eye irritation · Harmful if inhaled · May cause respiratory irritation

Names and identifiers

IUPAC name: methyl formate
Synonyms: methyl methanoate, Formic acid, methyl ester, Methyl methanoate
+ 36 more
Formic acid methyl ester, Methylformiat, Formiate de methyle, Methylformiaat, Mravencan methylnaty, methanoic acid methyl ester, DTXSID5025609, Methylester kyseliny mravenci, Metil (formiato di), Methyle (formiate de), Methyl ester of formic acid, 1MPH591FTG, DTXCID305609, CHEBI:77699, RefChem:6021, 203-481-7, METHYLFORMATE, HCOOCH3, MFCD00003291, Formic acid-methyl ester, Methyl formate, 97%, may cont. up to ca 3% methanol, Caswell No. 570, Methylformiaat [Dutch], Methylformiat [German], Mravencan methylnaty [Czech], Formiate de methyle [French], CCRIS 6062, HSDB 232, Metil (formiato di) [Italian], Methyle (formiate de) [French], EINECS 203-481-7, UN1243, Methylester kyseliny mravenci [Czech], UNII-1MPH591FTG, EPA Pesticide Chemical Code 053701, AI3-00408
Molecular formula: C₂H₄O₂
Empirical formula: CH₂O
Molecular weight: 60.05 g/mol
Exact mass: 60.02113
CAS number: 107-31-3
PubChem CID: 7865
Canonical SMILES: COC=O
Isomeric SMILES: COC=O
InChI: InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
InChIKey: TZIHFWKZFHZASV-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Colorless liquid [Note: A gas above 89 degrees F].[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Methyl formate appears as a clear colorless liquid with an agreeable odor. Flash point -27 °F. Less dense than water Vapors heavier than air. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Colorless liquid with a pleasant odor. [4] Occupational Safety and Health Administration (OSHA)
– Colorless liquid with a pleasant odor. [Note: A gas above 89 °F.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Colorless liquid [Note: A gas above 89 degrees F]. [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety& Health. DHHS (NIOSH) Publication No. 2004-103 (2003).
Odor: Pleasant odor.[6]
Melting point: -99.8 °C (-147.6 °F, NTP 1992)[1]
6 values
6 of 6 sources agree on it (most common value).
Value As written Source
−99.8 °Cshown -147.6 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−99.8 °C -99.8 °C [6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2449
−100 °C -100 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−100 °C -148 °F [4] Occupational Safety and Health Administration (OSHA)
−99.8 °C -99.8 °C [7] PAC Chemical Database, U.S. Department of Energy
−100 °C -148 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: 31.5 °C @760 [mmHg][7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
31.5 °C 88.7 °F at 760 mmHg (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
32 °C 32 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
32 °C 89 °F [4] Occupational Safety and Health Administration (OSHA)
31.5 °Cshown 31.5 °C @760 [mm Hg] [7] PAC Chemical Database, U.S. Department of Energy
32 °C 89 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Density: 0.975 @ 20°C[7]
5 values
5 of 5 sources agree on it (most common value).
Value As written Source
– 0.977 at 68 °F (USCG, 1999) - Less dense than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Relative density (water = 1): 0.97 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 0.98 [4] Occupational Safety and Health Administration (OSHA)
–shown 0.975 @ 20°C [7] PAC Chemical Database, U.S. Department of Energy
– 0.98 [5] The National Institute for Occupational Safety and Health (NIOSH)
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Solubility in water: Solubility in water, g/100ml at 20 °C: 30 (good)[3]
4 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– In water, 230,000 mg/L at 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985.
–shown Solubility in water, g/100ml at 20 °C: 30 (good) [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 30% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: -0.21[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
– log Kow = 0.03 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 4
–shown -0.21 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: 400 [mmHg] @16 °C[7]
5 values
2 of 4 sources agree on it (most common value).
Value As written Source
400 mmHg 400 mmHg at 61 °F [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
476 mmHg 476 mmHg at 68 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
585.7 mmHg 585.7 mm Hg at 25 °C /Extrapolated/ [6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
480 mmHg Vapor pressure, kPa at 20 °C: 64 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
400 mmHgshown 400 [mm Hg] @16 °C [7] PAC Chemical Database, U.S. Department of Energy
2 more values were reported but failed the checks (unreadable or out of range), so they are not shown.
Flash point: -19 °C[3]
5 values
3 of 5 sources agree on it (most common value).
Value As written Source
−32 °C -26 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−19 °C -2 °F (-19 °C) (Closed Cup) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-85
−19 °Cshown -19 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
−32 °C -26 °F [4] Occupational Safety and Health Administration (OSHA)
−19 °C -2 °F [5] The National Institute for Occupational Safety and Health (NIOSH)
Autoignition temperature: 449 °C[3]
3 values
2 of 3 sources agree on it (most common value).
Value As written Source
456 °C 853 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
449 °C 840 °F (449 °C) [6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-85
449 °Cshown 449 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Methyl formate appears as a clear colorless liquid with an agreeable odor. Flash point -27 °F. Less dense than water Vapors heavier than air.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Colorless liquid with a pleasant odor.	[4] Occupational Safety and Health Administration (OSHA)
–	Colorless liquid with a pleasant odor. [Note: A gas above 89 °F.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Colorless liquid [Note: A gas above 89 degrees F].	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety& Health. DHHS (NIOSH) Publication No. 2004-103 (2003).

Value	As written	Source
−99.8 °Cshown	-147.6 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−99.8 °C	-99.8 °C	[6] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 10th ed. Volumes 1-3 New York, NY: John Wiley & Sons Inc., 1999., p. 2449
−100 °C	-100 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−100 °C	-148 °F	[4] Occupational Safety and Health Administration (OSHA)
−99.8 °C	-99.8 °C	[7] PAC Chemical Database, U.S. Department of Energy
−100 °C	-148 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
31.5 °C	88.7 °F at 760 mmHg (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
32 °C	32 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
32 °C	89 °F	[4] Occupational Safety and Health Administration (OSHA)
31.5 °Cshown	31.5 °C @760 [mm Hg]	[7] PAC Chemical Database, U.S. Department of Energy
32 °C	89 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	0.977 at 68 °F (USCG, 1999) - Less dense than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Relative density (water = 1): 0.97	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	0.98	[4] Occupational Safety and Health Administration (OSHA)
–shown	0.975 @ 20°C	[7] PAC Chemical Database, U.S. Department of Energy
–	0.98	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	In water, 230,000 mg/L at 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985.
–shown	Solubility in water, g/100ml at 20 °C: 30 (good)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	30%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = 0.03	[6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 4
–shown	-0.21	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
400 mmHg	400 mmHg at 61 °F	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
476 mmHg	476 mmHg at 68 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
585.7 mmHg	585.7 mm Hg at 25 °C /Extrapolated/	[6] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
480 mmHg	Vapor pressure, kPa at 20 °C: 64	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
400 mmHgshown	400 [mm Hg] @16 °C	[7] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
−32 °C	-26 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
−19 °C	-2 °F (-19 °C) (Closed Cup)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-85
−19 °Cshown	-19 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
−32 °C	-26 °F	[4] Occupational Safety and Health Administration (OSHA)
−19 °C	-2 °F	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
456 °C	853 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
449 °C	840 °F (449 °C)	[6] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-85
449 °Cshown	449 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 4
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.5
H-bond donors: 0
H-bond acceptors: 2
Rotatable bonds: 1
TPSA (Å²): 26.3
Formal charge: 0
XLogP3: 0 PubChem
Complexity: 18 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Cs of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C40.00%
H6.71%
O53.28%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -0.21 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.01 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.95 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 60.05
log P ≤ 5 (Crippen): -0.21
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Harmonized EU classification (CLP Annex VI). Source [8].

Flammable
Harmful or irritant

NFPA 704[6]

H224Extremely flammable liquid and vapor
H302Harmful if swallowed
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation

Precautionary statements: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

View all classifications (3)

[8] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · DangerH224, H302, H319, H332, H335
[9] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 1.4% (11 of 764) of reports.
[9] European Chemicals Agency (ECHA) · 764 reports · DangerH224, H301+H311+H331, H301, H302, H311, H319, H331, H332, H335, H370

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 100 ppm (250 mg/m³)[4]
PEL: TWA 100 ppm (250 mg/m3) See Appendix G[5]
REL-STEL (Short Term Exposure Limit): 150 ppm (375 mg/m³)[4]
REL: TWA 100 ppm (250 mg/m3) ST 150 ppm (375 mg/m3)[5]
TLV: 50 ppm as TWA; 100 ppm as STEL; (skin).[3]
TLV-TWA (Time Weighted Average): 50 ppm [2014][4]

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[10]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Soap wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water.[5]
Fresh air, rest. Refer for medical attention.[3]

Storage

Fireproof. Separated from strong oxidants. Cool.[3]
Store in cool, dry, well-ventilated location. Seperate from alkalis, oxidizing materials, and moisture. Outside or detached storage is prefered.[6]

Incompatibilities

Strong oxidizers [Note: Reacts slowly with water to form methanol and formic acid].[6]
Strong oxidizers [Note: Reacts slowly with water to form methanol & formic acid.][5]

Safety data sheets on the supplier’s page: Smolecule, VladaChem, AA BLOCKS.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[8]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[9]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[10]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[11]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[12]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[13]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[14]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[15]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.