Common NameButyl formate
DescriptionButyl formate is a formate ester resulting from the formal condensation of formic acid with the hydroxy group of butan-1-ol. It has been found in apples, strawberries, sherry and Pamesan cheese, and it has a fruity, plum-like odour and taste. It has a role as a polar aprotic solvent, a flavouring agent and a fragrance. It derives from a butan-1-ol. Butyl formate, also known as butyl methanoate or fema 2916, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Butyl formate has been detected, but not quantified, in blackcurrants and pineapples.
Structure
Molecular FormulaC5H10O2
Average Mass102.13170
Monoisotopic Mass102.06808
IUPAC Namebutyl formate
Traditional NameN-butylformate
CAS Registry Number592-84-7
SMILESCCCCOC=O
InChI IdentifierInChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
InChI KeyNMJJFJNHVMGPGM-UHFFFAOYSA-N
CHEBI IDCHEBI:88514
HMDB IDHMDB0040575
StateNot Available
Water Solubility2.04e+01 g/l
logP1.53
logS-0.70
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)-6.82
Hydrogen Acceptor Count1
Hydrogen Donor Count0
Polar Surface Area26.3 Ų
Rotatable Bond Count4
Physiological Charge0
Formal Charge0
Refractivity26.80 m³·mol⁻¹
Polarizability11.33

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