1.0 2010-04-08 22:12:01 UTC 2025-11-19 00:58:12 UTC FDB015726 6-Hexyltetrahydro-2H-pyran-2-one It is used as a food additive 1,5-Undecanolactone 5-Hydroxyundecanoic acid lactone, 8CI FEMA 3294 C11H20O2 184.2753 184.146329884 6-hexyloxan-2-one 6-hexyloxan-2-one 710-04-3 CCCCCCC1CCCC(=O)O1 InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3 YZRXRLLRSPQHDK-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 3.71 ALOGPS logs -3.48 ALOGPS solubility 6.17e-02 g/l ALOGPS logp 3.31 ChemAxon pka_strongest_basic -7 ChemAxon iupac 6-hexyloxan-2-one ChemAxon average_mass 184.2753 ChemAxon mono_mass 184.146329884 ChemAxon smiles CCCCCCC1CCCC(=O)O1 ChemAxon formula C11H20O2 ChemAxon inchi InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3 ChemAxon inchikey YZRXRLLRSPQHDK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 52.26 ChemAxon polarizability 22.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23597 Specdb::CMs 29269 Specdb::CMs 101839 Specdb::CMs 147712 Specdb::MsIr 7309 Specdb::MsIr 7310 Specdb::MsMs 79608 Specdb::MsMs 79609 Specdb::MsMs 79610 Specdb::MsMs 140253 Specdb::MsMs 140254 Specdb::MsMs 140255 Specdb::MsMs 445004 Specdb::MsMs 445005 Specdb::MsMs 2237226 Specdb::MsMs 2238233 Specdb::MsMs 2239358 Specdb::MsMs 2355648 Specdb::MsMs 2355649 Specdb::MsMs 2355650 Specdb::MsMs 2607028 Specdb::MsMs 2607029 Specdb::MsMs 2607030 HMDB0036784 coconut creamy fatty fruity peach waxy