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3-OXOHEXANEDIOIC ACID

CAS No.
689-31-6
Chemical Name:
3-OXOHEXANEDIOIC ACID
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
CBNumber:
CB1366079
Molecular Formula:
C6H8O5
Molecular Weight:
160.12
MDL Number:
MFCD00010003
MOL File:
689-31-6.mol
MSDS File:
SDS
Last updated:2023-05-25 18:00:59

3-OXOHEXANEDIOIC ACID Properties

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)
FDA UNII 1379JRA56F

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3

3-OXOHEXANEDIOIC ACID price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TRC O856825 3-OxohexanedioicAcid 689-31-6 250mg $695 2021-12-16 Buy
Product number Packaging Price Buy
O856825 250mg $695 Buy

3-OXOHEXANEDIOIC ACID Chemical Properties,Uses,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: An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position.

5457-44-3
689-31-6
Synthesis of 3-OXOHEXANEDIOIC ACID from DIMETHYL 3-OXOADIPATE
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3-OXOHEXANEDIOIC ACID 3-oxoadipic acid 3-ketoadipate B-ketoadipic acid NSC18511 β-Ketoadipic acid, 3-Oxohexanedioic acid 4-OXOHEXANEDIOIC ACID Hexanedioic acid, 3-oxo- 689-31-6 HO2CCH2CH2COCH2CO2H C6H8O5