1.0 2010-04-08 22:05:41 UTC 2025-11-18 22:48:26 UTC FDB003192 4,5-Dimethyl-delta-valerolactone Minty flavouring agent [CCD] 4-Methyl-5-hexanolide 4,5-Dimethyl-delta-valerolactone g,d-Dimethyl-d-valerolactone C7H12O2 128.169 128.083729628 5,6-dimethyloxan-2-one 5,6-dimethyloxan-2-one 10413-18-0 CC1CCC(=O)OC1C InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3 HAXARIVGMMVELD-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 1.61 ALOGPS logs -1.25 ALOGPS solubility 7.19e+00 g/l ALOGPS logp 1.38 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5,6-dimethyloxan-2-one ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CC1CCC(=O)OC1C ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3 ChemAxon inchikey HAXARIVGMMVELD-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 33.8 ChemAxon polarizability 14.02 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15356 Specdb::CMs 153543 Specdb::NmrOneD 162649 Specdb::NmrOneD 162650 Specdb::NmrOneD 162651 Specdb::NmrOneD 162652 Specdb::NmrOneD 162653 Specdb::NmrOneD 162654 Specdb::NmrOneD 162655 Specdb::NmrOneD 162656 Specdb::NmrOneD 162657 Specdb::NmrOneD 162658 Specdb::NmrOneD 162659 Specdb::NmrOneD 162660 Specdb::NmrOneD 162661 Specdb::NmrOneD 162662 Specdb::NmrOneD 162663 Specdb::NmrOneD 162664 Specdb::NmrOneD 162665 Specdb::NmrOneD 162666 Specdb::NmrOneD 162667 Specdb::NmrOneD 162668 Specdb::MsMs 47817 Specdb::MsMs 47818 Specdb::MsMs 47819 Specdb::MsMs 153555 Specdb::MsMs 153556 Specdb::MsMs 153557 Specdb::MsMs 2418729 Specdb::MsMs 2418730 Specdb::MsMs 2418731 Specdb::MsMs 2543927 Specdb::MsMs 2543928 Specdb::MsMs 2543929 HMDB0031174 fruity minty