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689-31-6

689-31-6 Structure

689-31-6 Structure
IdentificationBack Directory
[Name]

3-OXOHEXANEDIOIC ACID
[CAS]

689-31-6
[Synonyms]

NSC18511
3-ketoadipate
3-oxoadipic acid
B-ketoadipic acid
3-OXOHEXANEDIOIC ACID
4-OXOHEXANEDIOIC ACID
Hexanedioic acid, 3-oxo-
β-Ketoadipic acid, 3-Oxohexanedioic acid
[Molecular Formula]

C6H8O5
[MDL Number]

MFCD00010003
[MOL File]

689-31-6.mol
[Molecular Weight]

160.12
Chemical PropertiesBack Directory
[Melting point ]

124-126 °C(lit.)
[Boiling point ]

412.2±25.0 °C(Predicted)
[density ]

1.405±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.13±0.32(Predicted)
[color ]

White to Off-White
[LogP]

-0.688 (est)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

3-Oxohexanedioic Acid is a degradation product of catechol in the presence of hydrogen peroxide; Also, it is derived from 3-Oxohexanedioic Acid Diethyl Ester (O856830), which is an intermediate used to prepare CMPF (C595000) which is a drug-binding inhibitor which is also a constituent of urine. CMPF can inhibit specific T4 binding in serum by increasing the free concentration of direct competitors.
[Definition]

ChEBI: An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position.
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