Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)

CAS Registry Number®

93778-33-7

CAS Name

Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)

Molecular Formula

C6H12O3.1/2Ca

Cite this Page

Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93778-33-7 (retrieved 2024-11-22) (CAS RN: 93778-33-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H12O3.Ca/c1-4(2)3-5(7)6(8)9;/h4-5,7H,3H2,1-2H3,(H,8,9);

InChIKey

InChIKey=KAVLLMCTVOLYGI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
  • Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1), (±)-
  • Calcium 4-methyl-2-hydroxypentanoate

Deleted or Replaced CAS Registry Numbers

87147-62-4