Common NamePropyl acetate
DescriptionPropyl acetate, also known as 1-acetoxypropane or propyl ethanoate, 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). It is formed by the esterification of acetic acid and 1-propanol (known as a condensation reaction), often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct. This clear, colorless liquid is known by its characteristic odor of pears. Propyl acetate is a drug. Propyl acetate is a bitter, celery, and fruity tasting compound. It has been detected, but not quantified, in several different foods, such as muskmelons, figs, apples, pineapples, and cocoa beans. Due to this fact, it is commonly used in fragrances and as a flavor additive. Propyl acetate has been found to be associated with the diseases such as nonalcoholic fatty liver disease; also propyl acetate has been linked to the inborn metabolic disorders including celiac disease.
Structure
Molecular FormulaC5H10O2
Average Mass102.13170
Monoisotopic Mass102.06808
IUPAC Namepropyl acetate
Traditional NamePropyl acetate
CAS Registry Number109-60-4
SMILESCCCOC(C)=O
InChI IdentifierInChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChI KeyYKYONYBAUNKHLG-UHFFFAOYSA-N
CHEBI IDCHEBI:40116
HMDB IDHMDB0034237
StateNot Available
Water Solubility2.82e+01 g/l
logP1.28
logS-0.56
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)-6.99
Hydrogen Acceptor Count1
Hydrogen Donor Count0
Polar Surface Area26.3 Ų
Rotatable Bond Count3
Physiological Charge0
Formal Charge0
Refractivity26.69 m³·mol⁻¹
Polarizability11.39

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