1.0 2010-04-08 22:08:49 UTC 2018-05-28 23:25:46 UTC FDB009819 3-Methyl-3-butenyl acetate It is used as a food additive . 3-Buten-1-ol, 3-methyl-, 1-acetate 3-Buten-1-ol, 3-methyl-, acetate 3-Methyl-3-buten- 1-yl acetate 3-Methyl-3-buten-1-ol, acetate 3-Methyl-3-buten-1-yl acetate 3-Methylbut-3-en-1-yl acetate 3-Methylbut-3-enyl acetate Acetic acid, 3-methylbut-3-enyl ester C7H12O2 128.169 128.083729628 3-methylbut-3-en-1-yl acetate 3-methylbut-3-en-1-yl acetate 5205-07-2 CC(=C)CCOC(C)=O InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3 OCUAPVNNQFAQSM-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 1.86 ALOGPS logs -1.14 ALOGPS solubility 9.27e+00 g/l ALOGPS logp 1.19 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-methylbut-3-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/h1,4-5H2,2-3H3 ChemAxon inchikey OCUAPVNNQFAQSM-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.61 ChemAxon polarizability 14.42 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5357 Specdb::MsIr 5358 Specdb::NmrOneD 113198 Specdb::NmrOneD 113199 Specdb::NmrOneD 113200 Specdb::NmrOneD 113201 Specdb::NmrOneD 113202 Specdb::NmrOneD 113203 Specdb::NmrOneD 113204 Specdb::NmrOneD 113205 Specdb::NmrOneD 113206 Specdb::NmrOneD 113207 Specdb::NmrOneD 113208 Specdb::NmrOneD 113209 Specdb::NmrOneD 113210 Specdb::NmrOneD 113211 Specdb::NmrOneD 113212 Specdb::NmrOneD 113213 Specdb::NmrOneD 113214 Specdb::NmrOneD 113215 Specdb::NmrOneD 113216 Specdb::NmrOneD 113217 Specdb::CMs 17668 Specdb::CMs 29649 Specdb::CMs 101133 Specdb::CMs 161172 Specdb::MsMs 109215 Specdb::MsMs 109216 Specdb::MsMs 109217 Specdb::MsMs 176616 Specdb::MsMs 176617 Specdb::MsMs 176618 Specdb::MsMs 2410222 Specdb::MsMs 2410223 Specdb::MsMs 2410224 Specdb::MsMs 2555739 Specdb::MsMs 2555740 Specdb::MsMs 2555741 HMDB32391 #<Reference:0x000055ce31f753f0> fruity