1.0 2010-04-08 22:08:58 UTC 2018-05-28 23:27:02 UTC FDB010136 Prenyl formate It is used as a food additive . 2-Buten-1-ol, 3-methyl-, 1-formate 2-Buten-1-ol, 3-methyl-, formate 3-Methyl-2-butenyl formate Formic acid, 3-methyl-2-butenyl ester C6H10O2 114.1424 114.068079564 3-methylbut-2-en-1-yl formate 3-methylbut-2-en-1-yl formate 68480-28-4 CC(C)=CCOC=O InChI=1S/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3 ZCROFVOAWLRGFY-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 1.50 ALOGPS logs -0.86 ALOGPS solubility 1.59e+01 g/l ALOGPS logp 1.24 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 3-methylbut-2-en-1-yl formate ChemAxon average_mass 114.1424 ChemAxon mono_mass 114.068079564 ChemAxon smiles CC(C)=CCOC=O ChemAxon formula C6H10O2 ChemAxon inchi InChI=1S/C6H10O2/c1-6(2)3-4-8-5-7/h3,5H,4H2,1-2H3 ChemAxon inchikey ZCROFVOAWLRGFY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 32.04 ChemAxon polarizability 12.52 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5476 Specdb::MsIr 5477 Specdb::CMs 13859 Specdb::CMs 158529 Specdb::MsMs 93324 Specdb::MsMs 93325 Specdb::MsMs 93326 Specdb::MsMs 157068 Specdb::MsMs 157069 Specdb::MsMs 157070 Specdb::MsMs 2668894 Specdb::MsMs 2668895 Specdb::MsMs 2668896 Specdb::MsMs 3013763 Specdb::MsMs 3013764 Specdb::MsMs 3013765 Specdb::NmrOneD 113658 Specdb::NmrOneD 113659 Specdb::NmrOneD 113660 Specdb::NmrOneD 113661 Specdb::NmrOneD 113662 Specdb::NmrOneD 113663 Specdb::NmrOneD 113664 Specdb::NmrOneD 113665 Specdb::NmrOneD 113666 Specdb::NmrOneD 113667 Specdb::NmrOneD 113668 Specdb::NmrOneD 113669 Specdb::NmrOneD 113670 Specdb::NmrOneD 113671 Specdb::NmrOneD 113672 Specdb::NmrOneD 113673 Specdb::NmrOneD 113674 Specdb::NmrOneD 113675 Specdb::NmrOneD 113676 Specdb::NmrOneD 113677 HMDB32490 #<Reference:0x000055ce31e2e6b8> fruity rum