1.0 2010-04-08 22:07:55 UTC 2015-07-20 22:18:34 UTC FDB008107 5-Butyl-delta-valerolactone Flavouring ingredient 2H-Pyran-2-one, tetrahydro-6-butyl 5-Butyl-5-hydroxypentanoic acid lactone 5-Butyl-delta-valerolactone 5-Hydroxynonanoic acid delta-lactone 5-Hydroxynonanoic acid, lactone 5-Nonalactone 5-Nonanolide 6-Butyltetrahydro-2H-pyran-2-one, 9CI beta -Nonalactone delta-Butyl-delta-valerolactone delta-Hydroxypelargonic acid lactone delta-Nonalactone FEMA 3356 Hydroxynonanoic acid delta-lactone Laquo deltaraquo -nonanolide Nonanoic acid, 5-hydroxy-, delta-lactone C9H16O2 156.2221 156.115029756 6-butyloxan-2-one 6-butyloxan-2-one 3301-94-8 CCCCC1CCCC(=O)O1 InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3 PXRBWNLUQYZAAX-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 logp 2.47 ALOGPS logs -2.33 ALOGPS solubility 7.28e-01 g/l ALOGPS logp 2.42 ChemAxon pka_strongest_basic -7 ChemAxon iupac 6-butyloxan-2-one ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CCCCC1CCCC(=O)O1 ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3 ChemAxon inchikey PXRBWNLUQYZAAX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 43.05 ChemAxon polarizability 18.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4560 Specdb::MsIr 4561 Specdb::CMs 24692 Specdb::CMs 29267 Specdb::CMs 100825 Specdb::CMs 135590 Specdb::CMs 143324 Specdb::MsMs 58083 Specdb::MsMs 58084 Specdb::MsMs 58085 Specdb::MsMs 113931 Specdb::MsMs 113932 Specdb::MsMs 113933 Specdb::MsMs 2778928 Specdb::MsMs 2778929 Specdb::MsMs 2778930 Specdb::MsMs 2902596 Specdb::MsMs 2902597 Specdb::MsMs 2902598 HMDB31514 #<Reference:0x000055ac408edc70> coconut coumarin creamy milky sweet