Calcium levulinate

CAS Registry Number®

591-64-0

CAS Name

Calcium levulinate

Molecular Formula

C5H8O3.1/2Ca

Cite this Page

Calcium levulinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=591-64-0 (retrieved 2024-11-23) (CAS RN: 591-64-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    125 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C5H8O3.Ca/c1-4(6)2-3-5(7)8;/h2-3H2,1H3,(H,7,8);

InChIKey

InChIKey=ZPJZMHXFDIHATJ-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C(C)=O.[Ca]

Canonical SMILES

[Ca].O=C(O)CCC(=O)C

Other Names for this Substance

  • Pentanoic acid, 4-oxo-, calcium salt (2:1)
  • Levulinic acid, calcium salt
  • Pentanoic acid, 4-oxo-, calcium salt
  • Calcium levulinate
  • 4-Oxopentanoic acid calcium salt

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Deleted or Replaced CAS Registry Numbers

1298118-75-8

CAS INSIGHTSTM
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