1.0 2010-04-08 22:14:58 UTC 2019-11-26 03:18:49 UTC FDB020361 Isopropyl formate Constituent of coffee, plum brandy, various mushrooms and dwarf quince (Chaenomeles japonica). Isopropyl formate is found in many foods, some of which are fruits, alcoholic beverages, mushrooms, and coffee and coffee products. 1-Methylethyl formate FEMA 2944 Formic acid 1-methylethyl ester Formic acid isopropyl ester Formic acid, 1-methylethyl ester Formic acid, 2-propyl ester Formic acid, isopropyl ester HCOOCH(CH3)2 Isopropyl formate Isopropyl methanoate Methylethyl formate C4H8O2 88.1051 88.0524295 propan-2-yl formate isopropyl formate 625-55-8 CC(C)OC=O InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3 RMOUBSOVHSONPZ-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 0.84 ALOGPS logs 0.09 ALOGPS solubility 1.08e+02 g/l ALOGPS melting_point -80 oC logp 0.65 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac propan-2-yl formate ChemAxon average_mass 88.1051 ChemAxon mono_mass 88.0524295 ChemAxon smiles CC(C)OC=O ChemAxon formula C4H8O2 ChemAxon inchi InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3 ChemAxon inchikey RMOUBSOVHSONPZ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 22.09 ChemAxon polarizability 9.13 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9012 Specdb::MsIr 9013 Specdb::MsMs 101016 Specdb::MsMs 101017 Specdb::MsMs 101018 Specdb::MsMs 166506 Specdb::MsMs 166507 Specdb::MsMs 166508 Specdb::MsMs 2294571 Specdb::MsMs 2294572 Specdb::MsMs 2294573 Specdb::MsMs 2641624 Specdb::MsMs 2641625 Specdb::MsMs 2641626 Specdb::CMs 17527 Specdb::CMs 28331 Specdb::CMs 29313 Specdb::CMs 102158 Specdb::CMs 102159 Specdb::CMs 137740 Specdb::CMs 145474 HMDB40579 #<Reference:0x000055ce307b6fc0> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Common mushroom Type 1 specific Agaricus bisporus 5341 Fruits Unknown generic Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Robusta coffee Type 1 specific Coffea canephora 49390 cocoa ethereal solvent tropical