3-Oxohexanedioic Acid

Product Name: 3-Oxohexanedioic Acid
CAS No.: 689-31-6
Chemical Name: 3-Oxohexanedioic Acid
Synonyms: NSC18511;3-ketoadipate;3-oxoadipic acid;B-ketoadipic acid;4-OXOHEXANEDIOIC ACID;3-OXOHEXANEDIOIC ACID;Lactic acid impurity 112;Hexanedioic acid, 3-oxo-;β-Ketoadipic acid, 3-Oxohexanedioic acid
CBNumber: CB1366079
Molecular Formula: C6H8O5
Formula Weight: 160.12
MOL File: 689-31-6.mol

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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)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

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N-Bromosuccinimide Price

TRC

Product number: O856825
Product name: 3-OxohexanedioicAcid
Packaging: 250mg
Price: $695
Updated: 2021/12/16

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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

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3-Oxohexanedioic Acid Suppliers

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689-31-6, 3-Oxohexanedioic AcidRelated Search:

3-OXOHEXANEDIOIC ACID

3-oxoadipic acid

3-ketoadipate

4-OXOHEXANEDIOIC ACID

B-ketoadipic acid

NSC18511

β-Ketoadipic acid, 3-Oxohexanedioic acid

Hexanedioic acid, 3-oxo-

Lactic acid impurity 112

689-31-6

HO2CCH2CH2COCH2CO2H

C6H8O5