1.0 2010-04-08 22:05:44 UTC 2020-02-24 19:10:43 UTC FDB003276 2-Methylpropyl formate Found in brandy, rum, beer, and vinegar. It is used in fruit flavouring. 2-Methyl-1-propyl formate 2-Methylpropyl formate, 9CI FEMA 2197 Formic acid, 2-methylpropyl ester Formic acid, isobutyl ester Iso-butyl formate Isobutyl formate Isobutyl formate [UN2393] [Flammable liquid] Isobutyl formate, 8CI Isobutyl methanoate Isobutyl methanote Isobutylester kyseliny mravenci Tetryl formate C5H10O2 102.1317 102.068079564 2-methylpropyl formate isobutyl formate 542-55-2 CC(C)COC=O InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3 AVMSWPWPYJVYKY-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 1.46 ALOGPS logs -0.61 ALOGPS solubility 2.48e+01 g/l ALOGPS melting_point Fp -95° logp 1.12 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 2-methylpropyl formate ChemAxon average_mass 102.1317 ChemAxon mono_mass 102.068079564 ChemAxon smiles CC(C)COC=O ChemAxon formula C5H10O2 ChemAxon inchi InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3 ChemAxon inchikey AVMSWPWPYJVYKY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 26.67 ChemAxon polarizability 11.14 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14502 Specdb::CMs 27191 Specdb::CMs 28333 Specdb::CMs 100678 Specdb::CMs 100679 Specdb::CMs 173299 Specdb::MsIr 4255 Specdb::MsIr 4256 Specdb::MsMs 98673 Specdb::MsMs 98674 Specdb::MsMs 98675 Specdb::MsMs 163638 Specdb::MsMs 163639 Specdb::MsMs 163640 Specdb::MsMs 2290530 Specdb::MsMs 2290531 Specdb::MsMs 2290532 Specdb::MsMs 2644623 Specdb::MsMs 2644624 Specdb::MsMs 2644625 Specdb::NmrOneD 163169 Specdb::NmrOneD 163170 Specdb::NmrOneD 163171 Specdb::NmrOneD 163172 Specdb::NmrOneD 163173 Specdb::NmrOneD 163174 Specdb::NmrOneD 163175 Specdb::NmrOneD 163176 Specdb::NmrOneD 163177 Specdb::NmrOneD 163178 Specdb::NmrOneD 163179 Specdb::NmrOneD 163180 Specdb::NmrOneD 163181 Specdb::NmrOneD 163182 Specdb::NmrOneD 163183 Specdb::NmrOneD 163184 Specdb::NmrOneD 163185 Specdb::NmrOneD 163186 Specdb::NmrOneD 163187 Specdb::NmrOneD 163188 HMDB31247 #<Reference:0x000055ce2f2731e0> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Pineapple Type 1 specific Ananas comosus 4615 chemical ether fruity sweet