Cas no 180476-36-2 (3-Tridecylhexadecanoic Acid)

3-Tridecylhexadecanoic Acid structure
3-Tridecylhexadecanoic Acid structure
Product Name:3-Tridecylhexadecanoic Acid
CAS No:180476-36-2
MF:C29H58O2
MW:438.769629955292
CID:113463
PubChem ID:15298646
Update Time:2025-04-18

3-Tridecylhexadecanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Hexadecanoic acid,3-tridecyl-
    • 3-TRIDECYLHEXADECANOIC ACID
    • Hexadecanoic acid, 3-tridecyl-
    • DTXSID00571124
    • 180476-36-2
    • SCHEMBL2307250
    • starbld0002686
    • 3-Tridecylhexadecanoic Acid
    • Inchi: 1S/C29H58O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28(27-29(30)31)26-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-27H2,1-2H3,(H,30,31)
    • InChI Key: NVVMUWWSJZPFJE-UHFFFAOYSA-N
    • SMILES: OC(CC(CCCCCCCCCCCCC)CCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 438.44394
  • Monoisotopic Mass: 438.44368109g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 26
  • Complexity: 327
  • 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
  • XLogP3: 14.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 545.2±18.0 °C at 760 mmHg
  • Flash Point: 309.8±9.6 °C
  • PSA: 37.3
  • Vapor Pressure: 0.0±3.1 mmHg at 25°C

3-Tridecylhexadecanoic Acid Security Information

3-Tridecylhexadecanoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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3-Tridecylhexadecanoic Acid
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$207.00 2023-05-17
TRC
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