Cas no 3715-31-9 (3-Methyl-2-oxovaleric acid sodium)

3-Methyl-2-oxovaleric acid sodium structure
3715-31-9 structure
Product Name:3-Methyl-2-oxovaleric acid sodium
CAS No:3715-31-9
MF:C6H9NaO3
MW:152.123633146286
MDL:MFCD00002584
CID:311194
PubChem ID:24851884
Update Time:2025-04-19

3-Methyl-2-oxovaleric acid sodium Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,3-methyl-2-oxo-, sodium salt (1:1)
    • 3-Methyl-2-oxovaleri
    • 3-Methyl-2-oxovalericAcidSodiumSalt
    • 3-METHYL-2-OXOPENTANOIC ACID SODIUM SALT
    • (±)-Sodium 3-methyl-2-oxovalerate
    • DL-α-Keto-β-methylvaleric acid sodium salt
    • Ketoisoleucine sodium salt
    • 2-Keto-3-methylvaleric acid sodium salt
    • sodium 3-methyl-2-oxopentanoate
    • Sodium 3-methyl-2-oxovalerate
    • 3-Methyl-2-oxovaleric Acid Sodium Salt
    • sodium;3-methyl-2-oxopentanoate
    • (+/-)-3-Methyl-2-oxovaleric acid sodium salt
    • DL-alpha-Keto-beta-methylvaleric acid sodium salt
    • Sodium DL-3-methyl-2-oxopentanoate
    • Pentanoic acid, 3-methyl-2-oxo-, sodium salt
    • sodium3-methyl-2-oxopentanoate
    • 3-Methyl-2-oxovaleric acid sodium
    • FT-0701044
    • (+/-)-Sodium 3-methyl-2-oxovalerate
    • EINECS 266-503-4
    • FEMA NO. 3870, SODIUM SALT-
    • NS00082959
    • PD196998
    • 3-METHYL-2-OXOPENTANOIC ACID, SODIUM SALT
    • 3-Methyl-2-oxovalericAcid-13C3SodiumSalt
    • VALERIC ACID, 3-METHYL-2-OXO-, SODIUM SALT
    • SODIUM .ALPHA.-KETO-.BETA.-METHYLVALERATE
    • 66872-74-0
    • 2S329HH8M0
    • DTXSID30958348
    • FT-0672180
    • (+/-)-3-METHYL-2-OXOPENTANOIC ACID, SODIUM SALT
    • EINECS 223-063-8
    • HY-W017386
    • UNII-2S329HH8M0
    • SCHEMBL3503477
    • 3-Methyl-2-oxovaleric acid (sodium)
    • CS-W018102
    • MFCD00002584
    • Q27255525
    • AS-81398
    • 3715-31-9
    • AKOS015916599
    • 1391052-48-4
    • D97764
    • A874173
    • PENTANOIC ACID, 3-METHYL-2-OXO-, SODIUM SALT (1:1)
    • DB-309568
    • 51829-07-3
    • SODIUM ALPHA-KETO-BETA-METHYLVALERATE
    • SMDJDLCNOXJGKC-UHFFFAOYSA-M
    • MDL: MFCD00002584
    • Inchi: 1S/C6H10O3.Na/c1-3-4(2)5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1
    • InChI Key: SMDJDLCNOXJGKC-UHFFFAOYSA-M
    • SMILES: [Na+].O=C(C(=O)[O-])C(C)CC

Computed Properties

  • Exact Mass: 152.04500
  • Monoisotopic Mass: 152.04493843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 133
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 57.2
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Not determined
  • Melting Point: 204-206?°C (lit.)
  • PSA: 57.20000
  • LogP: -0.64850
  • Solubility: Not determined

3-Methyl-2-oxovaleric acid sodium Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn
  • Risk Phrases:R22
  • Storage Condition:2-8°C

3-Methyl-2-oxovaleric acid sodium Pricemore >>

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