1.0 2010-04-08 22:11:37 UTC 2015-07-20 23:14:06 UTC FDB015042 Tetrahydrofurfuryl butyrate Flavouring agent with heavy sweet odour resembling apricot/pineapple (Tetrahydro-2-furanyl)methyl butanoate (Tetrahydro-2-furyl)methyl butyrate Butanoic acid, (tetrahydro-2-furanyl)methyl ester Butanoic acid, 2-tetrahydrofurylmethyl ester Butyric acid, tetrahydrofurfuryl ester FEMA 3057 Tetrahydro-2-furylmethyl butanoate Tetrahydrofurfuryl butyrate C9H16O3 172.2215 172.109944378 oxolan-2-ylmethyl butanoate oxolan-2-ylmethyl butanoate 92345-48-7 CCCC(=O)OCC1CCCO1 InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3 DPZVDLFOAZNCBU-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetrahydrofuran logp 1.49 ALOGPS logs -1.40 ALOGPS solubility 6.85e+00 g/l ALOGPS logp 1.49 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac oxolan-2-ylmethyl butanoate ChemAxon average_mass 172.2215 ChemAxon mono_mass 172.109944378 ChemAxon smiles CCCC(=O)OCC1CCCO1 ChemAxon formula C9H16O3 ChemAxon inchi InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3 ChemAxon inchikey DPZVDLFOAZNCBU-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 44.9 ChemAxon polarizability 19.31 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23198 Specdb::CMs 29114 Specdb::CMs 101792 Specdb::CMs 130624 Specdb::CMs 138358 Specdb::MsIr 7176 Specdb::MsIr 7177 Specdb::NmrOneD 134218 Specdb::NmrOneD 134219 Specdb::NmrOneD 134220 Specdb::NmrOneD 134221 Specdb::NmrOneD 134222 Specdb::NmrOneD 134223 Specdb::NmrOneD 134224 Specdb::NmrOneD 134225 Specdb::NmrOneD 134226 Specdb::NmrOneD 134227 Specdb::NmrOneD 134228 Specdb::NmrOneD 134229 Specdb::NmrOneD 134230 Specdb::NmrOneD 134231 Specdb::NmrOneD 134232 Specdb::NmrOneD 134233 Specdb::NmrOneD 134234 Specdb::NmrOneD 134235 Specdb::NmrOneD 134236 Specdb::NmrOneD 134237 Specdb::MsMs 70638 Specdb::MsMs 70639 Specdb::MsMs 70640 Specdb::MsMs 129171 Specdb::MsMs 129172 Specdb::MsMs 129173 Specdb::MsMs 3048407 Specdb::MsMs 3048408 Specdb::MsMs 3048409 Specdb::MsMs 3118274 Specdb::MsMs 3118275 Specdb::MsMs 3118276 HMDB36188 #<Reference:0x000055ce317d25d0> apricot fruity green musty pineapple sweet tropical