1.0 2010-04-08 22:11:05 UTC 2019-11-26 03:09:31 UTC FDB014100 4-Butyl-gamma-butyrolactone Present in apricots, peaches and other fruits. Flavouring ingredient [DFC]. 4-Butyl-gamma-butyrolactone is found in many foods, some of which are peach, bilberry, papaya, and pineapple. 4-Butyl-4-hydroxybutyric acid lactone 4-Butyl-gamma-butyrolactone 4-Hydroxyoctanoic acid lactone 4-Octanolide 5-Butyl-tetrahydro-furan-2-one 5-Butyldihydro-2(3H)-furanone 5-Butyldihydrofuran-2(3H)-one 5-Butylhydro-2(3H)-furanone 5-Butyltetrahydro-2-furanone 8-Oxo-5-octanolide FEMA 2796 gamma-Butyl-gamma-butyrolactone gamma-N-Butyl-gamma-butyrolactone gamma-Octalactone gamma-Octanoic lactone gamma-Octanolactone Octan-4-olide Octano-1,4-lactone Octanoic acid, gamma lactone Octanolide-1,4 C8H14O2 142.1956 142.099379692 5-butyloxolan-2-one 5-butyloxolan-2-one 104-50-7 CCCCC1CCC(=O)O1 InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3 IPBFYZQJXZJBFQ-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran Lactones logp 1.94 ALOGPS logs -1.86 ALOGPS solubility 1.96e+00 g/l ALOGPS logp 1.98 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-butyloxolan-2-one ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCCCC1CCC(=O)O1 ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3 ChemAxon inchikey IPBFYZQJXZJBFQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 38.45 ChemAxon polarizability 16.25 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6930 Specdb::MsIr 6931 Specdb::MsMs 83622 Specdb::MsMs 83623 Specdb::MsMs 83624 Specdb::MsMs 145269 Specdb::MsMs 145270 Specdb::MsMs 145271 Specdb::MsMs 2420697 Specdb::MsMs 2420698 Specdb::MsMs 2420699 Specdb::MsMs 2545771 Specdb::MsMs 2545772 Specdb::MsMs 2545773 Specdb::CMs 20674 Specdb::CMs 29260 Specdb::CMs 101737 Specdb::CMs 158454 Specdb::NmrOneD 131298 Specdb::NmrOneD 131299 Specdb::NmrOneD 131300 Specdb::NmrOneD 131301 Specdb::NmrOneD 131302 Specdb::NmrOneD 131303 Specdb::NmrOneD 131304 Specdb::NmrOneD 131305 Specdb::NmrOneD 131306 Specdb::NmrOneD 131307 Specdb::NmrOneD 131308 Specdb::NmrOneD 131309 Specdb::NmrOneD 131310 Specdb::NmrOneD 131311 Specdb::NmrOneD 131312 Specdb::NmrOneD 131313 Specdb::NmrOneD 131314 Specdb::NmrOneD 131315 Specdb::NmrOneD 131316 Specdb::NmrOneD 131317 HMDB35422 #<Reference:0x000055ce327b4ea8> Asparagus Type 1 specific Asparagus officinalis 4686 Bilberry Type 1 specific Vaccinium myrtillus 180763 0.00225 0.0045 0.0 mg/100 g Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Papaya Type 1 specific Carica papaya 3649 Peach Type 1 specific Prunus persica 3760 Pineapple Type 1 specific Ananas comosus 4615 0.03 0.03 0.03 mg/100 g Tortilla chip Type 2 specific coconut creamy dairy fatty sweet tonka waxy