Cas no 104620-40-8 (Heptanoic acid, 6,6-dimethyl-3-oxo-4-propyl-, methyl ester)

Heptanoic acid, 6,6-dimethyl-3-oxo-4-propyl-, methyl ester structure
104620-40-8 structure
Product Name:Heptanoic acid, 6,6-dimethyl-3-oxo-4-propyl-, methyl ester
CAS No:104620-40-8
MF:C13H24O3
MW:228.327864646912
CID:1144950
Update Time:2024-07-27

Heptanoic acid, 6,6-dimethyl-3-oxo-4-propyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 6,6-dimethyl-3-oxo-4-propyl-, methyl ester
    • Inchi: 1S/C13H24O3/c1-6-7-10(9-13(2,3)4)11(14)8-12(15)16-5/h10H,6-9H2,1-5H3
    • InChI Key: QIKSDECHQRLRQB-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)CC(=O)C(CCC)CC(C)(C)C

Experimental Properties

  • Density: 0.935±0.06 g/cm3(Predicted)
  • Boiling Point: 250.9±8.0 °C(Predicted)
  • pka: 10.47±0.46(Predicted)
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