3-METHYL-2-OXOVALERIC ACID manufacturers
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| | 3-METHYL-2-OXOVALERIC ACID Basic information |
| Product Name: | 3-METHYL-2-OXOVALERIC ACID | | Synonyms: | DL-3-METHYL-2-OXOVALERIC ACID;METHYLETHYLPYRUVIC ACID;Pentanoic acid, 3-methyl-2-oxo-;(3S)-3-methyl-2-oxo-pentanoic acid;alpha-keto-beta-methyl-valerate;2-KETO-3-METHYL-N-PENTANOIC ACID;2-KETO-3-METHYLVALERIC ACID;3-METHYL-2-OXO-N-PENTANOIC ACID | | CAS: | 1460-34-0 | | MF: | C6H10O3 | | MW: | 130.14 | | EINECS: | 215-955-0 | | Product Categories: | pharmacetical | | Mol File: | 1460-34-0.mol |  |
| | 3-METHYL-2-OXOVALERIC ACID Chemical Properties |
| Melting point | 42°C | | Boiling point | 84 °C / 18mmHg | | density | 1.087±0.06 g/cm3(Predicted) | | FEMA | 3870 | 3-METHYL-2-OXOPENTANOIC ACID | | storage temp. | Refrigerator | | solubility | DMSO : 130 mg/mL (998.92 mM) | | pka | 2.65±0.54(Predicted) | | form | powder to crystal | | color | White to Light yellow | | JECFA Number | 632 | | InChI | 1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | | InChIKey | JVQYSWDUAOAHFM-UHFFFAOYSA-N | | SMILES | CC(C(C(O)=O)=O)CC | | LogP | 0.17 | | CAS DataBase Reference | 1460-34-0(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-36 | | Safety Statements | 26-36/37/39-36 | | WGK Germany | WGK 3 | | HS Code | 2918300090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 |
| | 3-METHYL-2-OXOVALERIC ACID Usage And Synthesis |
| Uses | 3-Methyl-2-oxovaleric acid is a degradation product from Isoleucine. 3-Methyl-2-oxovaleric acid is a biomarker of mustard airway diseases (MADs) and uric acid stone[1][2]. | | Definition | ChEBI: A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple
syrup urine disease (MSUD). | | Synthesis Reference(s) | The Journal of Organic Chemistry, 39, p. 600, 1974 DOI: 10.1021/jo00919a004 | | in vivo | In uric acid stone urinary environment, the levels of 3-Methyl-2-oxovaleric acid is elevated [2]. | | IC 50 | Human Endogenous Metabolite | | References | [1] Ghoochani BFNM, et, al. Metabolomics diagnostic approach to mustard airway diseases: a preliminary study. Iran J Basic Med Sci. 2018 Jan;21(1):59-69. DOI:10.22038/IJBMS.2017.23792.5982
[2] Xu S, et al. Self-control study of multi-omics in identification of microenvironment characteristics in urine of uric acid stone. Sci Rep. 2024 Oct 24;14(1):25165. DOI:10.1038/s41598-024-76054-0 |
| | 3-METHYL-2-OXOVALERIC ACID Preparation Products And Raw materials |
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