Cas no 74305-48-9 (4-Pentylphenyl 4-pentylbenzoate)

4-Pentylphenyl 4-pentylbenzoate structure
74305-48-9 structure
Product Name:4-Pentylphenyl 4-pentylbenzoate
CAS No:74305-48-9
MF:C23H30O2
MW:338.483107089996
MDL:MFCD01076318
CID:59576
PubChem ID:24884762
Update Time:2026-05-14

4-Pentylphenyl 4-pentylbenzoate Chemical and Physical Properties

Names and Identifiers

    • 4-Pentylphenyl 4-pentylbenzoate
    • p-Pentylphenyl p-pentylbenzoate
    • 4-n-Pentylphenyl-4-pentylbenzoate
    • 4-PENTYLPHENYL-4'-PENTYLBENZOATE
    • 4-PENTYLPHENYL 4-PENTYLBENZOATE, 97
    • 665746_ALDRICH
    • AC1MI6OD
    • ACMC-20ambo
    • CTK8C5851
    • SureCN3621652
    • (4-pentylphenyl) 4-pentylbenzoate
    • 4-(n-pentyl)benzoic acid-4'-(n-pentyl)phenol ester
    • TRA0006345
    • 4-Pentylbenzoic acid 4-pentylphenyl ester
    • BC220754
    • 4
    • MDL: MFCD01076318
    • Inchi: 1S/C23H30O2/c1-3-5-7-9-19-11-15-21(16-12-19)23(24)25-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3
    • InChI Key: VWDNHTVWLXZZEK-UHFFFAOYSA-N
    • SMILES: O(C(C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

Computed Properties

  • Exact Mass: 338.225
  • Monoisotopic Mass: 338.225
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 11
  • Complexity: 349
  • 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: 8.4
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.002
  • Melting Point: 34-38?°C
  • Boiling Point: 459.8°C at 760 mmHg
  • Flash Point: 459.8 °C at 760 mmHg
  • Refractive Index: 1.533

4-Pentylphenyl 4-pentylbenzoate Security Information

  • Hazard Statement: H413
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Storage Condition:2-8°C

4-Pentylphenyl 4-pentylbenzoate Pricemore >>

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