1.0 2010-04-08 22:04:32 UTC 2019-11-26 02:54:41 UTC FDB000373 Prenyl acetate Constituent of ylang-ylang oil. Prenyl acetate is found in fats and oils. 2-Buten-1-ol, 3-methyl-, 1-acetate 2-Buten-1-ol, 3-methyl-, acetate 3-Methyl-2-buten-1-ol acetate 3-Methyl-2-buten-1-ol, acetate 3-Methyl-2-buten-1-yl acetate 3-Methyl-2-butenyl acetate 3-Methyl-but-2-en-1-yl acetate 3-Methyl, but-2-enyl acetate 3,3-Dimethyl allyl acetate 3,3-Dimethylallyl acetate Dimethylallyl acetate Isopent-2-enyl acetate Isopentenyl acetate Prenyl acetate C7H12O2 128.169 128.083729628 3-methylbut-2-en-1-yl acetate 3-methylbut-2-en-1-yl acetate 1191-16-8 CC(C)=CCOC(C)=O InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3 XXIKYCPRDXIMQM-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 Liquid logp 1.80 ALOGPS logs -1.17 ALOGPS solubility 8.66e+00 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-methylbut-2-en-1-yl acetate ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CC(C)=CCOC(C)=O ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3 ChemAxon inchikey XXIKYCPRDXIMQM-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 36.53 ChemAxon polarizability 14.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13333 Specdb::CMs 28462 Specdb::CMs 100294 Specdb::CMs 131769 Specdb::CMs 139503 Specdb::MsIr 3390 Specdb::MsIr 3391 Specdb::MsMs 74019 Specdb::MsMs 74020 Specdb::MsMs 74021 Specdb::MsMs 133296 Specdb::MsMs 133297 Specdb::MsMs 133298 Specdb::MsMs 2366977 Specdb::MsMs 2366978 Specdb::MsMs 2366979 Specdb::MsMs 2598196 Specdb::MsMs 2598197 Specdb::MsMs 2598198 HMDB29314 #<Reference:0x000055ce31e79b40> Asian pear Type 1 specific Pyrus pyrifolia 3767 Fats and oils Unknown generic balsam banana fresh fruity heliotrope jasmin lavender ripe sweet