1.0 2010-04-08 22:09:50 UTC 2019-11-26 03:05:25 UTC FDB011794 (R)-3-Octyl acetate (±)-3-octyl 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) (±)-3-octyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-3-octyl acetate can be found in orange mint, which makes (±)-3-octyl acetate a potential biomarker for the consumption of this food product. 1-Ethylhexyl acetate 3-Octanol acetate 3-Octanyl acetate 3-Octyl acetate Acetic acid, 1-ethylhexyl ester Octan-3-ol acetate Octan-3-yl acetate C10H20O2 172.2646 172.146329884 (3R)-octan-3-yl acetate (3R)-octan-3-yl acetate 4864-61-3 CCCCCC(CC)OC(C)=O InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3 STZUZYMKSMSTOU-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 3.07 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3R)-octan-3-yl acetate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCC(CC)OC(C)=O ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3 ChemAxon inchikey STZUZYMKSMSTOU-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.43 ChemAxon polarizability 20.95 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Orange mint Type 1 specific Mentha aquatica 190902 Spearmint Type 1 specific Mentha spicata 29719 1.35 1.35 1.35 mg/100 g apple bergamot fresh grapefruit green mint rose woody