Methyl formate

An ester, C2H4O2, 60.052 g/mol. Boiling point 31.5 °C, melting point -99.8 °C, as published.

verified recordOrganic — ester9 measured properties

Identifiers

Molecular formula: C₂H₄O₂
Molecular weight: 60.052 g/mol
Exact mass: 60.021129 g/mol
IUPAC name: methyl formate
SMILES: COC=O
InChI: InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
InChIKey: TZIHFWKZFHZASV-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point: 88.7 °F at 760 mmHg (NTP, 1992)measured · CAMEO Chemicals; 31.5 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Melting Point: -147.6 °F (NTP, 1992)measured · CAMEO Chemicals; -99.8 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Density: 0.977 at 68 °F (USCG, 1999) - Less dense than water; will floatmeasured · CAMEO Chemicals; 0.987 at 15 °C/15 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)measured · CAMEO Chemicals; 28.35 kJ/mol at 25 °Cmeasured · Hazardous Substances Data Bank (HSDB)
Vapor Pressure: 400 mmHg at 61 °F ; 476 mmHg at 68 °F (NTP, 1992)measured · CAMEO Chemicals; 585.7 [mmHg]measured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
LogP: log Kow = 0.03measured · Hazardous Substances Data Bank (HSDB); -0.21measured · ILO-WHO International Chemical Safety Cards (ICSCs)
Flash Point: -26 °F (NTP, 1992)measured · CAMEO Chemicals; -2 °Fmeasured · Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
Viscosity: 0.325 mPa-s at 25 °Cmeasured · Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 6-181
Refractive Index: Index of refraction = 1.3433 at 20 °C/Dmeasured · Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-167

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight: 60.05 g/molcalculated · reference compound database; Average mass of one molecule, from reference compound database.
Exact mass: 60.021129366 Dacalculated · reference compound database; Mass of the most common isotopic form.
XLogP3: 0calculated · reference compound database; Estimated oil/water partition, computed by reference compound database.
Polar surface area: 26.3 Å²calculated · reference compound database; Polar surface area as computed by reference compound database.
Complexity: 18calculated · reference compound database; A rough measure of how intricate the structure is.
H-bond donors: 0calculated · reference compound database
H-bond acceptors: 2calculated · reference compound database
logP: -0.2108calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 26.3 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 0calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 2calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 1calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 13.073 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 0.5calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.3912calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

O Oxygen2 atoms · 53.3% by mass
C Carbon2 atoms · 40.0% by mass
H Hydrogen4 atoms · 6.7% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 4
Total atoms, hydrogen included: 8
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Ester
A carbonyl bonded to an oxygen that links to another carbon.
Ether
An oxygen bridging two carbons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Methyl formate yet.

Other names for it

The systematic name on this record is methyl formate.

The sources also call it Formic acid, methyl ester, Methyl methanoate, Formic acid methyl ester, Methylformiat, Formiate de methyle, Methylformiaat, Mravencan methylnaty, methanoic acid methyl ester, DTXSID5025609, Methylester kyseliny mravenci, Metil (formiato di).

Structurally related

Nothing structurally close to Methyl formate has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Methyl formate. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

1-(1-Benzylpiperidin-4-yl)-2-formyl-4-phenylbutan-1-one

formed as a product

C₂₃H₂₇NO₂, 349.474 g/mol.

(3-Aminomethyl-1,2,4-oxadiazol-5-ylmethyl)-dipropylamine

used as a reactant

C₁₀H₂₀N₄O, 212.297 g/mol.

1-(1-Benzylpiperidin-4-yl)-4-phenylbutan-1-one

used as a reactant

C₂₂H₂₇NO, 321.464 g/mol.

Where these values came from

reference compound database7865
compound record
chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.