1.0 2010-04-08 22:09:57 UTC 2015-07-20 22:46:10 UTC FDB012031 4,4-Dimethoxy-2-butanone Flavouring ingredient β-oxobutyraldehyde dimethyl acetal 1,1-Dimethoxy-3-butanone 2-Butanone, 4,4-dimethoxy- 3-Ketobutyraldehyde dimethyl acetal 3-Ketobutyraldehyde dimethylacetal 3-Oxobutanal dimethyl acetal 3-oxobutanal, dimethyl acetal 3-Oxobutyraldehyde 1-(dimethylacetal) 3-Oxobutyraldehyde dimethyl acetal 3-Oxobutyraldehyde dimethylacetal 4,4-Dimethoxy-2-butanone, 9CI 4,4-dimethoxybutan-2-one 4,4-Dimethoxybutanone Acetoacetaldehyde 1-(dimethyl acetal) Acetoacetaldehyde dimethyl acetal Acetoacetaldehyde, 1-(dimethyl acetal) Acetoacetaldehyde, 1-(dimethyl acetal) (6CI,7CI,8CI) Acetylacetaldehyddimethylacetal Acetylacetaldehyde dimethyl acetal Acetylacetaldehyde dimethylacetal beta -Oxobutyraldehyde dimethyl acetal Beta-oxobutyraldehyde dimethyl acetal BUTANAL,2-OXO,DIMETHYL ACETAL FEMA 3381 Formylacetone dimethyl acetal C6H12O3 132.1577 132.07864425 4,4-dimethoxybutan-2-one 2-butanone, 4,4-dimethoxy- 5436-21-5 COC(CC(C)=O)OC InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 PJCCSZUMZMCWSX-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acetals Hydrocarbon derivatives Organic oxides Acetal Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide logp 0.03 ALOGPS logs -0.12 ALOGPS solubility 9.95e+01 g/l ALOGPS logp 0.45 ChemAxon pka_strongest_acidic 17.4 ChemAxon pka_strongest_basic -4 ChemAxon iupac 4,4-dimethoxybutan-2-one ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles COC(CC(C)=O)OC ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 ChemAxon inchikey PJCCSZUMZMCWSX-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 33.13 ChemAxon polarizability 13.79 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20977 Specdb::CMs 29184 Specdb::CMs 101424 Specdb::CMs 166975 Specdb::MsIr 6306 Specdb::MsIr 6307 Specdb::NmrOneD 123278 Specdb::NmrOneD 123279 Specdb::NmrOneD 123280 Specdb::NmrOneD 123281 Specdb::NmrOneD 123282 Specdb::NmrOneD 123283 Specdb::NmrOneD 123284 Specdb::NmrOneD 123285 Specdb::NmrOneD 123286 Specdb::NmrOneD 123287 Specdb::NmrOneD 123288 Specdb::NmrOneD 123289 Specdb::NmrOneD 123290 Specdb::NmrOneD 123291 Specdb::NmrOneD 123292 Specdb::NmrOneD 123293 Specdb::NmrOneD 123294 Specdb::NmrOneD 123295 Specdb::NmrOneD 123296 Specdb::NmrOneD 123297 Specdb::MsMs 76725 Specdb::MsMs 76726 Specdb::MsMs 76727 Specdb::MsMs 136638 Specdb::MsMs 136639 Specdb::MsMs 136640 Specdb::MsMs 2814919 Specdb::MsMs 2814920 Specdb::MsMs 2814921 Specdb::MsMs 2891376 Specdb::MsMs 2891377 Specdb::MsMs 2891378 HMDB33851 #<Reference:0x000055ce31bd97f0> alcoholic bitter ethereal musty nutty