Isoamyl formate

Isoamyl formate, also known as isopentyl formate, is an ester formed from isoamyl alcohol and formic acid, with the formula C6H12O2. It is a colorless liquid with a fruity odor of plum or blackcurrant.

Isoamyl formate
Names
Preferred IUPAC name
3-Methylbutyl formate
Systematic IUPAC name
3-Methylbutyl formate
Other names
Isopentyl formate
Isopentyl methanoate
Isoamyl formate
Identifiers
3D model (JSmol)
1739893
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.003.428
EC Number
  • 203-769-2
KEGG
PubChem CID
UNII
  • InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
    Key: XKYICAQFSCFURC-UHFFFAOYSA-N
SMILES
  • CC(C)CCOC=O
Properties
C6H12O2
Molar mass 116.160 g·mol−1
Appearance Colorless liquid
Odor fruity (plum, blackcurrant)
Density 0.881−0.889 g/cm3
Melting point −93.5 °C (−136.3 °F; 179.7 K)
Boiling point 123.00 to 124.00 °C (253.40 to 255.20 °F; 396.15 to 397.15 K)
3.5 g/L at 25 °C
Solubility soluble in ethanol, most fixed oils and propylene glycol;
insoluble in glycerol
Vapor pressure 9.97 mmHg (20 °C)
13.4 mmHg (25 °C)
Refractive index (nD)
 1.396−1.400
Hazards
GHS labelling:
Danger
H225, H319, H335
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501
Flash point 27 °C
Lethal dose or concentration (LD, LC):
LD50 (median dose)
  • 9840 mg/kg (oral, rat)
  • 3020 mg/kg (oral, rabbit)
  • >5 g/kg (dermal, rabbit)
Related compounds
Related compounds
 Isoamyl acetate
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references
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