1.0 2010-04-08 22:07:29 UTC 2025-11-18 23:04:16 UTC FDB007187 2-Heptyl acetate 2-heptyl acetate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters 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). 2-heptyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-heptyl acetate can be found in cloves, which makes 2-heptyl acetate a potential biomarker for the consumption of this food product. Heptyl acetate is used as a fruit essence flavoring in foods and as a scent in perfumes. It has a woody, fruity, rumlike odor and a spicy, floral taste with a soapy, fatty texture . 1-Methylhexyl acetate 2-Heptanol, acetate 2-heptyl acetate C9H18O2 158.241 158.13067982 heptan-2-yl acetate heptan-2-yl acetate CCCCCC(C)OC(C)=O InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3 VJYWBLDDQZIGJI-UHFFFAOYSA-N 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). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.41 ALOGPS logs -2.88 ALOGPS solubility 2.09e-01 g/l ALOGPS logp 2.55 ChemAxon pka_strongest_basic -7 ChemAxon iupac heptan-2-yl acetate ChemAxon average_mass 158.241 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCCCC(C)OC(C)=O ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3 ChemAxon inchikey VJYWBLDDQZIGJI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 44.91 ChemAxon polarizability 19.1 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100521 Specdb::MsMs 100522 Specdb::MsMs 100523 Specdb::MsMs 165870 Specdb::MsMs 165871 Specdb::MsMs 165872 Specdb::MsMs 3603773 Specdb::MsMs 3603774 Specdb::MsMs 3603775 Specdb::MsMs 3603776 Specdb::MsMs 3603777 Specdb::MsMs 3603778 Cloves Type 1 specific Syzygium aromaticum 219868