1.0 2010-04-08 22:08:38 UTC 2018-05-28 23:24:12 UTC FDB009552 Hept-trans-2-en-1-yl acetate It is used as a food additive . (2E)-2-Heptenyl acetate (E)-2-heptenyl acetate (E)-Hept-2-enyl acetate 1-Acetate(2e)-2-hepten-1-ol 2-Hepten-1-ol, 1-acetate, (2E)- 2-Hepten-1-ol, acetate, (2E)- 2-Hepten-1-ol, acetate, (E)- 2-heptenyl Acetate Acetate(2e)-2-hepten-1-ol Acetate(e)-2-hepten-1-ol trans-2-Heptenyl acetate C9H16O2 156.2221 156.115029756 (2E)-hept-2-en-1-yl acetate (2E)-hept-2-en-1-yl acetate 16939-73-4 CCCC\C=C\COC(C)=O InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+ AWCPMVVOGVEPRC-VOTSOKGWSA-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 Wax monoesters logp 3.23 ALOGPS logs -2.69 ALOGPS solubility 3.18e-01 g/l ALOGPS logp 2.37 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2E)-hept-2-en-1-yl acetate ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CCCC\C=C\COC(C)=O ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6+ ChemAxon inchikey AWCPMVVOGVEPRC-VOTSOKGWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 46.05 ChemAxon polarizability 18.7 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10747 Specdb::CMs 29149 Specdb::CMs 101113 Specdb::CMs 158993 Specdb::MsIr 5257 Specdb::MsIr 5258 Specdb::MsMs 96879 Specdb::MsMs 96880 Specdb::MsMs 96881 Specdb::MsMs 161472 Specdb::MsMs 161473 Specdb::MsMs 161474 Specdb::MsMs 2730154 Specdb::MsMs 2730155 Specdb::MsMs 2730156 Specdb::MsMs 2975783 Specdb::MsMs 2975784 Specdb::MsMs 2975785 HMDB32307 #<Reference:0x000055ce32c90238> fatty fruity sweet