Cas no 69868-05-9 (Nonadecanoic acid,2-ethyl-)

Nonadecanoic acid,2-ethyl- structure
Nonadecanoic acid,2-ethyl- structure
Product Name:Nonadecanoic acid,2-ethyl-
CAS No:69868-05-9
MF:C21H42O2
MW:326.556987285614
CID:504534
PubChem ID:112164
Update Time:2025-04-19

Nonadecanoic acid,2-ethyl- Chemical and Physical Properties

Names and Identifiers

    • Nonadecanoic acid,2-ethyl-
    • 2-ethylnonadecan-1-oic acid
    • 2-ethylnonadecanoic acid
    • Nonadecanoic acid, 2-ethyl-
    • SCHEMBL5878966
    • EINECS 274-167-5
    • 69868-05-9
    • NS00063103
    • DTXSID80887679
    • Inchi: 1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
    • InChI Key: SEVBTWRNJDEVHQ-UHFFFAOYSA-N
    • SMILES: OC(C(CC)CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 326.31866
  • Monoisotopic Mass: 326.318
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 18
  • Complexity: 250
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.882
  • Boiling Point: 443.2°C at 760 mmHg
  • Flash Point: 251.2°C
  • Refractive Index: 1.457
  • PSA: 37.3
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