Cas no 7786-48-3 (Octanoic acid, nonylester)

Octanoic acid, nonylester structure
Octanoic acid, nonylester structure
Product Name:Octanoic acid, nonylester
CAS No:7786-48-3
MF:C17H34O2
MW:270.450665950775
CID:564773
Update Time:2025-04-19

Octanoic acid, nonylester Chemical and Physical Properties

Names and Identifiers

    • Octanoic acid, nonylester
    • nonyl octanoate
    • Caprylic acid nonyl ester
    • Bitter Wang ester
    • Caprylsaeurenonylester
    • Nonyl caprylate
    • Nonyl octylate
    • Inchi： 1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
    • InChI Key： HSGQXSBXGSRINJ-UHFFFAOYSA-N
    • SMILES： CCCCCCCCCOC(CCCCCCC)=O

Computed Properties

  • Exact Mass: 270.25600
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 15
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • 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: 7.1

Experimental Properties

  • PSA: 26.30000
  • LogP: 5.64070
  • FEMA: 2790 | NONYL OCTANOATE

Octanoic acid, nonylester Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: Cesium manganese oxide ;  48 h, 150 °C
Reference
Aerobic Self-Esterification of Alcohols Assisted by Mesoporous Manganese and Cobalt Oxide
Moharreri, Ehsan ; et al, ChemCatChem, 2019, 11(15), 3413-3422

Octanoic acid, nonylester Raw materials

Octanoic acid, nonylester Preparation Products

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