methyl formate

• ChemBase ID: 105024
• Molecular Formular: C2H4O2
• Molecular Mass: 60.05196
• Monoisotopic Mass: 60.02112937
• SMILES: COC=O
• Canonical SMILES: COC=O
• InChI: InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
• InChIKey: TZIHFWKZFHZASV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl formate
• IUPAC Traditional name: methyl formate
• Synonyms: Formic acid methyl ester; Methyl formate; Methyl formate; FORMIC ACID METHYL ESTER; R-611; Methyl formate; 蚁酸甲酯; 甲酸甲酯

Database IDs

• CAS Number: 107-31-3
• EC Number: 203-481-7
• MDL Number: MFCD00003291
• Beilstein Number: 1734623
• Merck Index: 146077
• PubChem SID: 24857508; 24855430; 24845930; 24896937; 162093103; 24902082
• PubChem CID: 7865
• CHEMBL: 295026
• Chemspider ID: 7577
• Wikipedia Title: Methyl_formate
• Flavis Number: 9.642

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.12615037
• LogD (pH = 7.4): -0.12615037
• Log P: -0.12615037
• Molar Refractivity: 12.9223 cm^3
• Polarizability: 5.255282 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -100 °C(lit.); -100°C; -100.4 °C; -100°C
• Boiling Point: 32°C; 32.3 °C; 32-33°C; 32-34 °C(lit.)
• Flash Point: -19 °C; -2.2 °F; -26°C(-14°F); -28 °C (DIN 51755)
• Auto Ignition Point: 440 °C; 842 °F
• Density: .968 g/cm^3 at 20 °C; 0.972; 0.974 g/mL at 20 °C(lit.); 0.98 g/cm3
• Refractive Index: 1.3440; n20/D 1.343(lit.); n20/D 1.344
• Vapor Pressure: 32.81 psi ( 55 °C); 32.91 psi ( 55 °C); 644 hPa at 20 °C; 9.21 psi ( 20 °C); 9.47 psi ( 20 °C)
• Vapor Density: 2.07 (air = 1); 2.1 (vs air)
• Absorption Wavelength: λ: 259 nm Amax: 1.00; λ: 260 nm Amax: 0.70; λ: 260 nm Amax: 1.000; λ: 265 nm Amax: 0.100; λ: 265 nm Amax: 0.20; λ: 270 nm Amax: 0.020; λ: 270 nm Amax: 0.04; λ: 310 nm Amax: 0.010; λ: 310-400 nm Amax: 0.01

Safety Information

• Storage Condition: 2-8°C
• RTECS: LQ8925000
• European Hazard Symbols: Highly flammable (F+); X; Harmful (Xn)
• UN Number: 1243; UN1243
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1; I
• Australian Hazchem: 2YE
• Risk Statements: 12-20/22-36/37; R:12-20/22-36/37
• Safety Statements: 2-9-16-24-26-33; 9-16-24-26-33; S:9-16-24-26-33
• EU Classification: F1
• EU Hazard Identification Number: 3A
• Emergency Response Guidebook(ERG) Number: 129
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Explode Limits: 23 %
• GHS Hazard statements: H224-H302-H319-H332-H335; H224-H302-H332-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1243 3/PG 1

Product Information

• Purity: ≥95%; ≥98.5% (GC); ≥99.0% (GC); ≥99.8% (GC); 97%; 97%, may cont. up to ca 3% methanol; 99%
• Grade: absolute; analytical standard; anhydrous; for UV-spectroscopy; puriss.; reagent grade; spectrophotometric grade
• Evaporation Residue: <0.0005%; ≤0.0005%
• Impurities: <0.005% water; <0.010% water; ≤0.01% water; ≤3% methyl alcohol
• Shelf Life: (limited shelf life, expiry date on the label)
• λ: 1 cm path, H2O reference; H2O reference
• Linear Formula: HCO2CH3

DETAILS

MP Biomedicals - 02158181

1 ml = approx. 0.97 g

Sigma Aldrich - W519103

Packaging
1 kg in glass bottle
10 kg in steel drum
1 sample in glass bottle
25 kg in comp drum

Sigma Aldrich - M46837

Packaging
1, 4 L in glass bottle

Sigma Aldrich - 259705

Packaging
1, 2 L in glass bottle

Sigma Aldrich - 291056

Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

REFERENCES

• Formylating agent; see Ethyl formate, A11113.