Cas no 71698-08-3 (Butanoic acid,2-hydroxy-2-methyl-3-oxo-, (2S)-)

Butanoic acid,2-hydroxy-2-methyl-3-oxo-, (2S)- structure
71698-08-3 structure
Product Name:Butanoic acid,2-hydroxy-2-methyl-3-oxo-, (2S)-
CAS No:71698-08-3
MF:C5H8O4
MW:132.114622116089
CID:548398
PubChem ID:440878
Update Time:2025-07-12

Butanoic acid,2-hydroxy-2-methyl-3-oxo-, (2S)- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-hydroxy-2-methyl-3-oxo-, (2S)-
    • (S)-α-Acetolactic Acid Potassium Salt
    • (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
    • (S)-Α-ACETOLACTIC ACID
    • Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (2S)- (9CI)
    • (S)-a-Acetolactic acid
    • Butanoicacid, 2-hydroxy-2-methyl-3-oxo-, (S)-
    • (S)-2-hydroxy-2-methyl-3-oxobutanoate
    • Q209410
    • SCHEMBL108620
    • DTXSID70331535
    • SB47803
    • Butanoic acid, 2-hydroxy-2-methyl-3-oxo-, (S)-
    • (S)-2-Acetolactate
    • (S)-alpha-Acetolactic acid
    • CHEBI:18409
    • UNII-RTS9ADR29A
    • (S)-.ALPHA.-ACETOLACTIC ACID
    • (S)-2-hydroxy-2-methyl-3-oxobutanoicacid
    • C06010
    • RTS9ADR29A
    • 71698-08-3
    • X2X
    • acetyl-D-lactic acid
    • 2-Acetolactate, (S)-
    • (S)-2-hydroxy-2-methyl-3-oxobutanoic acid
    • NMDWGEGFJUBKLB-YFKPBYRVSA-N
    • 119622-27-4
    • LMFA01050460
    • (S)-Alpha-Acetolactic Acid Potassium Salt
    • Inchi: 1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/t5-/m0/s1
    • InChI Key: NMDWGEGFJUBKLB-YFKPBYRVSA-N
    • SMILES: O[C@](C(=O)O)(C(C)=O)C

Computed Properties

  • Exact Mass: 132.04224
  • Monoisotopic Mass: 132.042
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: -0.7
  • Topological Polar Surface Area: 74.6A^2

Experimental Properties

  • Density: 1.316±0.06 g/cm3(Predicted)
  • Boiling Point: 284.7±25.0 °C(Predicted)
  • PSA: 74.6
  • LogP: -0.58900

Butanoic acid,2-hydroxy-2-methyl-3-oxo-, (2S)- Pricemore >>

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