1.0 2010-04-08 22:07:55 UTC 2025-11-18 23:06:52 UTC FDB008099 (R)-Acetoin Constituent of butter and produced by many microorganisms [DFC] Acetoin is a colorless or pale yellow to green yellow liquid with a pleasant, buttery odor. Acetoin is used as an external energy store by a number of fermentive bacteria. Acetoin, along with diacetyl, is one of the compounds giving butter its characteristic flavor. Acetoin is used as a food flavoring (in baked goods) and a fragrance. It can be found in apples, butter, yogurt, asparagus, black currants, blackberry, wheat, broccoli, brussels sprouts, cantaloupe. [Wikipedia]. (R)-3-Hydroxy-2-butanone (R)-Acetoin 3-Hydroxybutanone Acetyl methyl carbinol C4H8O2 88.1051 88.0524295 (3R)-3-hydroxybutan-2-one (R)-acetoin 53584-56-8 C[C@@H](O)C(C)=O InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1 ROWKJAVDOGWPAT-GSVOUGTGSA-N belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups. Acyloins Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Alpha-hydroxy ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy ketone Hydrocarbon derivative Ketone Organic oxide Secondary alcohol Oxygenated hydrocarbons acetoin liquid logp -0.66 ALOGPS logs 0.73 ALOGPS solubility 4.73e+02 g/l ALOGPS melting_point 15 oC logp -0.14 ChemAxon pka_strongest_acidic 13.72 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (3R)-3-hydroxybutan-2-one ChemAxon average_mass 88.1051 ChemAxon mono_mass 88.0524295 ChemAxon smiles C[C@@H](O)C(C)=O ChemAxon formula C4H8O2 ChemAxon inchi InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1 ChemAxon inchikey ROWKJAVDOGWPAT-GSVOUGTGSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 22.39 ChemAxon polarizability 9.11 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2797 Specdb::MsMs 85500 Specdb::MsMs 85501 Specdb::MsMs 85502 Specdb::MsMs 147606 Specdb::MsMs 147607 Specdb::MsMs 147608 Specdb::MsMs 3604673 Specdb::MsMs 3604674 Specdb::MsMs 3604675 Specdb::MsMs 3604676 Specdb::MsMs 3604677 Specdb::MsMs 3604678 Specdb::NmrOneD 320031 Specdb::NmrOneD 320032 Specdb::NmrOneD 320033 Specdb::NmrOneD 320034 Specdb::NmrOneD 320035 Specdb::NmrOneD 320036 Specdb::NmrOneD 320037 Specdb::NmrOneD 320038 Specdb::NmrOneD 320039 Specdb::NmrOneD 320040 Specdb::NmrOneD 320041 Specdb::NmrOneD 320042 Specdb::NmrOneD 320043 Specdb::NmrOneD 320044 Specdb::NmrOneD 320045 Specdb::NmrOneD 320046 Specdb::NmrOneD 320047 Specdb::NmrOneD 320048 Specdb::NmrOneD 320049 Specdb::NmrOneD 320050 15686 Milk and milk products Unknown generic