Cas no 136-91-4 (Butanoic acid,2-ethyl-, calcium salt (2:1))

Butanoic acid,2-ethyl-, calcium salt (2:1) structure
136-91-4 structure
Product Name:Butanoic acid,2-ethyl-, calcium salt (2:1)
CAS No:136-91-4
MF:C12H22CaO4
MW:270.378683567047
CID:157618
PubChem ID:216242
Update Time:2025-04-19

Butanoic acid,2-ethyl-, calcium salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,2-ethyl-, calcium salt (2:1)
    • calcium bis(2-ethylbutyrate)
    • calcium,2-ethylbutanoate
    • calcium bis(2-ethylbutanoate)
    • Ethanion
    • Bis(2-ethylbutanoic acid)calcium
    • Bis(2-ethylbutanoic acid)calcium salt
    • Calcium 2-ethylbutanoate
    • Q27258870
    • CALCIUM 2-ETHYLBUTANOATE [MI]
    • 136-91-4
    • 45Z9K2YL9V
    • EINECS 205-266-3
    • NS00079659
    • SCHEMBL1030692
    • calcium;2-ethylbutanoate
    • DTXSID80159626
    • UNII-45Z9K2YL9V
    • BUTANOIC ACID, 2-ETHYL-, CALCIUM SALT (2:1)
    • Inchi： 1S/2C6H12O2.Ca/c2*1-3-5(4-2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
    • InChI Key： SXDNHUFAYSNOHZ-UHFFFAOYSA-L
    • SMILES： [Ca+2].[O-]C(C(CC)CC)=O.[O-]C(C(CC)CC)=O

Computed Properties

  • Exact Mass: 270.11446
  • Monoisotopic Mass: 270.1144
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 69.1
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 80.3

Experimental Properties

  • Boiling Point: 195.4°Cat760mmHg
  • Flash Point: 88.4°C
  • PSA: 80.26

Butanoic acid,2-ethyl-, calcium salt (2:1) Related Literature

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