Sodium 3-methyl-2-oxopentanoate

Base Information

• Chemical Name: Sodium 3-methyl-2-oxopentanoate
• CAS No.: 3715-31-9
• Molecular Formula: C6H10 O3 . Na
• Molecular Weight: 152.12
• European Community (EC) Number: 223-063-8,266-503-4
• UNII: 2S329HH8M0
• DSSTox Substance ID: DTXSID30958348
• Nikkaji Number: J205.631C
• Wikidata: Q27255525
• Mol file: 3715-31-9.mol

Synonyms:sodium 3-methyl-2-oxopentanoate;3715-31-9;3-Methyl-2-oxopentanoic acid sodium salt;Sodium 3-methyl-2-oxovalerate;3-Methyl-2-oxovaleric Acid Sodium Salt;66872-74-0;sodium;3-methyl-2-oxopentanoate;Pentanoic acid, 3-methyl-2-oxo-, sodium salt;Sodium DL-3-methyl-2-oxopentanoate;(+/-)-3-Methyl-2-oxovaleric acid sodium salt;UNII-2S329HH8M0;2S329HH8M0;EINECS 223-063-8;EINECS 266-503-4;3-Methyl-2-oxovaleric acid (sodium);3-Methyl-2-oxovalericAcid-13C3SodiumSalt;1391052-48-4;(+/-)-Sodium 3-methyl-2-oxovalerate;DL-alpha-Keto-beta-methylvaleric acid sodium salt;C6H10O3.Na;sodium3-methyl-2-oxopentanoate;SCHEMBL3503477;DTXSID30958348;AKOS015916599;CS-W018102;HY-W017386;FEMA NO. 3870, SODIUM SALT-;AS-81398;PD196998;FT-0672180;FT-0701044;D97764;3-METHYL-2-OXOPENTANOIC ACID, SODIUM SALT;A874173;SODIUM .ALPHA.-KETO-.BETA.-METHYLVALERATE;VALERIC ACID, 3-METHYL-2-OXO-, SODIUM SALT;Q27255525;(+/-)-3-METHYL-2-OXOPENTANOIC ACID, SODIUM SALT;PENTANOIC ACID, 3-METHYL-2-OXO-, SODIUM SALT (1:1)

Chemical Property of Sodium 3-methyl-2-oxopentanoate

Chemical Property:

• Melting Point: 204-206 °C(lit.)
• Boiling Point: 190.5°Cat760mmHg
• Flash Point: 83.3°C
• PSA: 57.20000
• Density: 1.087g/cm³
• LogP: -0.64850
• Storage Temp.: 2-8°C
• Solubility.: Methanol (Slightly), Water (Sparingly, Sonicated)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 152.04493843
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methyl-2-oxovalericAcidSodiumSalt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C(=O)C(=O)[O-].[Na+]
• Uses: 3-Methyl-2-oxovaleric Acid is an α-ketomonocarboxylic acid that triggers insulin release by acting upon receptor sites which differ from those occupied by amino acids. 4-Methyl-2-oxovaleric Acid is a n analogue of Isoleucine. 3-Methyl-2-oxopentanoic acid sodium salt may be used in chemical synthesis studies.