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06547

Supelco

Methyl formate

analytical standard

Synonym(s):

Formic acid methyl ester

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About This Item

Linear Formula:
HCO2CH3
CAS Number:
Molecular Weight:
60.05
Beilstein:
1734623
EC Number:
MDL number:
UNSPSC Code:
85151701
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

2.1 (vs air)

Assay

≥99.8% (GC)

autoignition temp.

842 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

23 %

refractive index

n20/D 1.343 (lit.)
n20/D 1.344

bp

32-34 °C (lit.)

mp

−100 °C (lit.)

density

0.974 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

[H]C(=O)OC

InChI

1S/C2H4O2/c1-4-2-3/h2H,1H3

InChI key

TZIHFWKZFHZASV-UHFFFAOYSA-N

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General description

Methyl formate is an ester derivative of formic acid.

Application

Methyl formate may be used as a reference standard for the determination of methyl formate in
  • blood and urine by headspace in-tube extraction gas chromatography-mass spectrometry (HS-ITEX-GC−MS)
  • Brazilian sugar-cane spirit by high-resolution gas chromatography (HRGC)
  • pharmaceutical excipients using HS-GC-MS operating under scan mode and selected ion monitoring (SIM) mode

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Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 1 - STOT SE 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-2.2 °F - closed cup

Flash Point(C)

-19 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Simultaneous determination of formic acid and formaldehyde in pharmaceutical excipients using headspace GC/MS.
del Barrio MA, et al.
Journal of Pharmaceutical and Biomedical Analysis, 41(3), 738-743 (2006)
Identification and dosage by HRGC of minor alcohols and esters in Brazilian sugar-cane spirit.
Boscolo M, et al.
Journal of the Brazilian Chemical Society, 11(1), 86-90 (2000)
Formic acid
Ullmann's Encyclopedia of Industrial Chemistry (2000)
Wayne K Metcalfe et al.
The journal of physical chemistry. A, 114(17), 5478-5484 (2010-04-13)
The energetics and kinetics of methyl formate decomposition have been investigated by high-level ab initio calculations with rate constant predictions. The paucity of reliable experimental data for methyl formate has been circumvented by studying a very similar system, namely, the
Therèse Zeegers-Huyskens et al.
The journal of physical chemistry. A, 115(45), 12586-12601 (2011-08-23)
The conformational manifolds, scenarios of protonation, and hydrogen bond propensity of methyl formate and its mono and difluoro derivatives, which possess two oxygen atoms with different basicities, are studied at the B3LYP/6-311++G(3df,3pd) computational level. The optimized geometries of the title

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