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3-Oxohexanedioic Acid

3-Oxohexanedioic Acid Structure
3-Oxohexanedioic Acid
  • CAS No.689-31-6
  • Chemical Name:3-Oxohexanedioic Acid
  • CBNumber:CB1366079
  • Molecular Formula:C6H8O5
  • Formula Weight:160.12
  • MOL File:689-31-6.mol
3-Oxohexanedioic Acid Property
  • 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
  • InChI InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
  • InChIKey RTGHRDFWYQHVFW-UHFFFAOYSA-N
  • SMILES C(O)(=O)CC(=O)CCC(O)=O
  • LogP -0.688 (est)
  • FDA UNII 1379JRA56F
Safety
  • Hazard Codes  :Xi
  • Risk Statements  :36/37/38
  • Safety Statements  :26-36
  • WGK Germany  :3
Hazard and Precautionary Statements (GHS)
  • Symbol(GHS)
  • Signal wordWarning
  • Hazard statements H315-H319-H335
  • Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

3-Oxohexanedioic Acid Chemical Properties,Usage,Production

  • 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: 3-oxoadipic acid is an oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position. It has a role as a bacterial xenobiotic metabolite and a human metabolite. It is an oxo dicarboxylic acid and a dicarboxylic fatty acid. It is functionally related to an adipic acid. It is a conjugate acid of a 3-oxoadipate(2-).
3-Oxohexanedioic Acid Preparation Products And Raw materials
Raw materials
Preparation Products
3-Oxohexanedioic Acid Suppliers
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3-Oxohexanedioic Acid Spectrum
  • 试剂
  • 化学试剂
  • C6H8O5
  • HO2CCH2CH2COCH2CO2H
  • 乳酸杂质112
  • Β-酮己二酸,3 -羰基合成己二酸
  • 3-氧代己二酸
  • 689-31-6
  • Lactic acid impurity 112
  • Hexanedioic acid, 3-oxo-
  • 4-OXOHEXANEDIOIC ACID
  • β-Ketoadipic acid, 3-Oxohexanedioic acid
  • NSC18511
  • B-ketoadipic acid
  • 3-ketoadipate
  • 3-oxoadipic acid
  • 3-OXOHEXANEDIOIC ACID

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