1.0 2010-04-08 22:13:13 UTC 2025-11-19 01:55:53 UTC FDB017642 xi-Tetrahydro-6-propyl-2H-pyran-2-one It is used in food flavouring. Isolated from many substances including coconut and butter oils, fruits (e.g. strawberry, pineapple) and cooked meats. xi-Tetrahydro-6-propyl-2H-pyran-2-one is found in fats and oils, animal foods, and fruits. C8H14O2 142.1956 142.099379692 6-propyloxan-2-one 6-propyloxan-2-one CCCC1CCCC(=O)O1 InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3 FYTRVXSHONWYNE-UHFFFAOYSA-N belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Delta valerolactones Organic compounds Organoheterocyclic compounds Lactones Delta valerolactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Lactones logp 2.08 ALOGPS logs -1.78 ALOGPS solubility 2.38e+00 g/l ALOGPS logp 1.98 ChemAxon pka_strongest_basic -7 ChemAxon iupac 6-propyloxan-2-one ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CCCC1CCCC(=O)O1 ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3 ChemAxon inchikey FYTRVXSHONWYNE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 38.45 ChemAxon polarizability 16.19 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2847 Specdb::CMs 29266 Specdb::CMs 101955 Specdb::CMs 153764 Specdb::MsIr 7890 Specdb::MsIr 7891 Specdb::NmrOneD 4651 Specdb::NmrOneD 25602 Specdb::NmrOneD 25603 Specdb::NmrOneD 25604 Specdb::NmrOneD 25605 Specdb::NmrOneD 25606 Specdb::NmrOneD 25607 Specdb::NmrOneD 25608 Specdb::NmrOneD 25609 Specdb::NmrOneD 25610 Specdb::NmrOneD 25611 Specdb::NmrOneD 25612 Specdb::NmrOneD 25613 Specdb::NmrOneD 25614 Specdb::NmrOneD 25615 Specdb::NmrOneD 25616 Specdb::NmrOneD 25617 Specdb::NmrOneD 25618 Specdb::NmrOneD 25619 Specdb::NmrOneD 25620 Specdb::NmrOneD 25621 Specdb::MsMs 61833 Specdb::MsMs 61834 Specdb::MsMs 61835 Specdb::MsMs 118446 Specdb::MsMs 118447 Specdb::MsMs 118448 Specdb::MsMs 2369148 Specdb::MsMs 2369149 Specdb::MsMs 2369150 Specdb::MsMs 2566985 Specdb::MsMs 2566986 Specdb::MsMs 2566987 HMDB38310 #<Reference:0x000055ce32b62a78> Fats and oils Unknown generic Fruits Unknown generic