ethyl formate

• ChemBase ID: 85759
• Molecular Formular: C3H6O2
• Molecular Mass: 74.07854
• Monoisotopic Mass: 74.03677943
• SMILES: O=COCC
• Canonical SMILES: CCOC=O
• InChI: InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
• InChIKey: WBJINCZRORDGAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl formate
• IUPAC Systematic name: Ethyl methanoate
• IUPAC Traditional name: ethyl formate
• Synonyms: Formic acid ethyl ester; Ethyl formate; Ethyl methanoate; Ethyl formate; Ethyl formate; FORMIC ACID ETHYL ESTER; 蚁酸乙酯; 甲酸乙酯

Database IDs

• CAS Number: 109-94-4
• EC Number: 203-721-0
• MDL Number: MFCD00003294
• Beilstein Number: 906769
• Merck Index: 143807
• PubChem SID: 162072875; 24889112; 24901077; 24901076; 24847107
• PubChem CID: 8025
• CHEBI ID: 52342
• CHEMBL: 44215
• Chemspider ID: 7734
• FEMA ID: 2434
• Unique Ingredient Identifier: 0K3E2L5553
• Wikipedia Title: Ethyl_formate
• Council of Europe Number: 339c; 339
• Flavis Number: 9.072

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.23065759
• LogD (pH = 7.4): 0.23065759
• Log P: 0.23065759
• Molar Refractivity: 17.6709 cm^3
• Polarizability: 7.0660834 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80 °C(lit.); -80°C; -80.15°C (193K); -81 °C (-113 °F); -81°C
• Boiling Point: 52-54 °C(lit.); 52-54°C; 52-54°C; 54.0°C; 55 °C (130 °F)
• Flash Point: -19 °C; -19°C; -19.4°C; -19°C(-2°F); -2.2 °F
• Auto Ignition Point: 455 °C (851 °F); 851 °F
• Density: 0.917 g/cm^3; 0.921; 0.921 g/mL at 20 °C(lit.); 0.924 at 25 °C (water = 1)
• Refractive Index: 1.3600; n20/D 1.359(lit.); n20/D 1.360
• Vapor Pressure: 15.16 psi ( 55 °C); 192 mm Hg (25.6 kPa) at 20 °C, 300 mm Hg (40 kPa) at 30 °C, 200 mm Hg at 20.6 °C; 3.79 psi ( 20 °C)
• Vapor Density: 2.5 (vs air); 2.55 (air = 1)
• Organoleptic: ethereal; fruity; sweet; wine-like

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Highly Flammable/Harmful/Moisture Sensitive
• RTECS: LQ8400000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1190; UN1190
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Australian Hazchem: 3YE
• Risk Statements: 11-20/22-36/37; R:11-20/22-36/37
• Safety Statements: 9-16-24-26-33; S:9-16-24-26-33
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 129
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Explode Limits: 16 %
• GHS Hazard statements: H225-H302-H319-H332-H335; H225-H302-H332-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P210-P262-P243-P305+P351+P338-P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1190 3/PG 2
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (184.1295)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; ≥96.0% (GC); ≥97%; ≥97.0%; ≥99.5% (GC); 97%
• Grade: analytical standard; FG; Halal; Kosher; natural; NI; purum; reagent grade; SAJ special grade
• Impurities: ≤2% ethanol
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: HCOOC2H5

DETAILS

MP Biomedicals - 02158180

1 ml = approx. 0.92 g

Sigma Aldrich - W243418

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

Sigma Aldrich - W243434

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in steel drum

Sigma Aldrich - 112682

Packaging
2, 2.5 L in glass bottle
25, 500 mL in glass bottle

REFERENCES

• Many illustrations of use in formylation of carbanions are given in Organic Syntheses:For more recent examples, see: Org. Synth. Coll., 6, 590, Note 1 (1988); Org. Synth. Coll., 9, 180 (Note 4), 239, 548 (1998).
• ɑ-Formylation of the dilithio derivatives of carboxylic acids, followed by facile decarboxylation, provides an indirect conversion to the corresponding aldehydes: Tetrahedron Lett., 699 (1970); 603 (1974).
• Amines readily give N-formyl derivatives, more easily cleaved by hydrolysis than N-acetyl: Can. J. Chem., 60, 3055 (1982); for an example (L-valinol), see: Org. Synth. Coll., 8, 204 (1993).