1.0 2010-04-08 22:14:41 UTC 2019-11-26 03:18:05 UTC FDB019924 2-Hexenyl acetate Found in strawberry (Fragaria) and other fruits and essential oils. It is used in artificial fruit flavours (2E)-2-Hexenyl acetate (E)-2-Hexen-1-yl acetate (E)-2-Hexenyl acetate (E)-hex-2-enyl acetate 2-Hexen-1-ol acetate 2-Hexen-1-yl-acetate 2-Hexenyl acetate FEMA 2564 hex-2-en-1-yl acetate Hex-2-enyl acetate trans-2-Hexenyl acetate Trans-2-HEXENYLACETATE trans-hex-2-enyl acetate C8H14O2 142.1956 142.099379692 (2E)-hex-2-en-1-yl acetate 2-hexen-1-ol, acetate, (2E)- 2497-18-9 CCC\C=C\COC(C)=O InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+ HRHOWZHRCRZVCU-AATRIKPKSA-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 2.58 ALOGPS logs -2.18 ALOGPS solubility 9.48e-01 g/l ALOGPS logp 1.93 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2E)-hex-2-en-1-yl acetate ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCC\C=C\COC(C)=O ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+ ChemAxon inchikey HRHOWZHRCRZVCU-AATRIKPKSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 41.45 ChemAxon polarizability 16.69 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8787 Specdb::MsIr 8788 Specdb::MsMs 101520 Specdb::MsMs 101521 Specdb::MsMs 101522 Specdb::MsMs 167157 Specdb::MsMs 167158 Specdb::MsMs 167159 Specdb::MsMs 2677982 Specdb::MsMs 2677983 Specdb::MsMs 2677984 Specdb::MsMs 3031043 Specdb::MsMs 3031044 Specdb::MsMs 3031045 Specdb::CMs 23301 Specdb::CMs 28618 Specdb::CMs 102071 Specdb::CMs 164295 HMDB40212 #<Reference:0x000055ce33232c18> Blackberry Type 1 specific Rubus 0.0 0.0 0.0 mg/L Broccoli Type 1 specific Brassica oleracea var. italica 36774 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Peach Type 1 specific Prunus persica 3760 Strawberry Type 1 specific Fragaria X ananassa 3747 0.0 0.0 0.0 mg/L Thornless blackberry Type 1 specific Rubus ulmifolius 0.0 0.0 0.0 mg/L apple skin banana peel fresh green privet sweet waxy Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.