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
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)
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.
N-Bromosuccinimide Price
- Product number
- O856825
- Product name
- 3-OxohexanedioicAcid
- Packaging
- 250mg
- Price
- $695
- Updated
- 2021/12/16
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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