Compound: 2,3-butanedione
SMILES: O=C(C(=O)C)C
InChIKey: QSJXEFYPDANLFS-UHFFFAOYSA-N
Synonyms: 2,3-butanedione, diacetyl, biacetyl, Butane-2,3-dione, 431-03-8, dimethylglyoxal, Butanedione, dimethyl diketone, Dimethyl glyoxal, 2,3-diketobutane, 2,3-dioxobutane, 2,3-Butadione, Glyoxal, dimethyl-, 2,3-butandione, FEMA No. 2370, DTXSID6021583, AI3-03313, K324J5K4HM, NSC-8750, DTXCID701583, CHEBI:16583, Diketobutane, 2,3 Butanedione, RefChem:132552, 207-069-8, butadione, Diacetyl (natural), MFCD00008756, Butan-2,3-dione, 2,3-Butanedione-13C2, CCRIS 827, HSDB 297, NSC 8750, UN2346, 1173018-75-1, 2.3-butanedione, EINECS 207-069-8, BRN 0605398, UNII-K324J5K4HM, butane 2, butane-2, Biacetyl; BDM, 2,3 butandione, Buta-2,3-dione, DIACETYL [FHFI], DIACETYL [HSDB], DIACETYL [FCC], Butanedione [UN2346] [Flammable liquid], DIACETYL [MI], GlyTouCan:G58318YB, Lopac-D-3634, Butanedione [UN2346], 2,3-Butanedione, 97%, Lopac0_000387, SCHEMBL20472, 4-01-00-03644 (Beilstein Handbook Reference), Diacetyl, natural, >=95%, WLN: 1VV1, (CH3CO)2, CHEMBL365809, SCHEMBL2746131, SCHEMBL3676073, SGCUT00113, SCHEMBL27725924, 2,3-Butanedione (8CI,9CI), BDBM22725, NSC8750, HMS3261M15, G58318YB, to_000005, Tox21_201218, Tox21_500387, LMFA12000012, 2,3-Butanedione, analytical standard, AKOS000118816, Diacetyl 1000 microg/mL in Methanol, CCG-204481, EBC-627081, LP00387, SDCCGSBI-0050374.P002, NCGC00015336-01, NCGC00015336-02, NCGC00015336-03, NCGC00015336-04, NCGC00015336-05, NCGC00015336-06, NCGC00015336-07, NCGC00090746-01, NCGC00090746-02, NCGC00090746-03, NCGC00258770-01, NCGC00261072-01, CAS-431-03-8, DB-003226, B0682, Butanedione [UN2346]  [Flammable liquid], EU-0100387, NS00003558, EN300-19494, C00741, D 3634, W18292, F099488, Q408916, SR-01000075811, InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H, SR-01000075811-1, DEE64962-0BD5-454C-8BDA-FDBD33C47181, F0001-1188, BUO
Theoretical properties:
molecular_formula: C4H6O2
molecular_weight: 86.09 g/mol
exact_mass: 86.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 6
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Greenish-yellow liquid
color: Greenish-yellow liquid
odor: Quinone odor; vapors have a chlorine-like odor
boiling_point: 190 °F at 760 mmHg (NTP, 1992)
melting_point: 27.7 °F (NTP, 1992)
density: 0.99 at 59 °F (NTP, 1992) - Less dense than water; will float
solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
flash_point: 80 °F (NTP, 1992)
vapor_pressure: 56.8 [mmHg]
Descriptions:
pubchem: Butane-2,3-dione is an alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. It has a role as a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite.
chebi: An α-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.
chembl: BUTANEDIONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Diacetyl ( dy-yuh-SEE-tuhl; IUPAC systematic name: butanedione or butane-2,3-dione) is an organic compound with the chemical formula (CH3CO)2. It is a yellow liquid with an intensely buttery flavor. It is a vicinal diketone (two C=O groups, side-by-side). Diacetyl occurs naturally in alcoholic beverages and some cheeses and is added as a flavoring to some foods to impart its buttery flavor. Chronic inhalation exposure to diacetyl fumes is a causative agent of the lung disease bronchiolitis obliterans, commonly known as "popcorn lung".