Cas no 50649-59-7 (4-Pentylphenyl 4-methylbenzoate)

4-Pentylphenyl 4-methylbenzoate structure
50649-59-7 structure
Product Name:4-Pentylphenyl 4-methylbenzoate
CAS No:50649-59-7
MF:C19H22O2
MW:282.376785755157
MDL:MFCD01076322
CID:55840
PubChem ID:24884763
Update Time:2025-04-18

4-Pentylphenyl 4-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • 4-Pentylphenyl 4-methylbenzoate
    • p-Amylphenyl p-toluate
    • 4-pentylphenyl p-toluate
    • 665754_ALDRICH
    • AC1O54ZD
    • EINECS 256-683-2
    • p-Pentylphenyl p-methylbenzoate
    • SureCN3624271
    • 4-pentylphenyl-4'-methylbenzoate
    • 4-n-Pentylphenyl-4-methylbenzoate
    • (4-pentylphenyl) 4-methylbenzoate
    • Benzoic acid, 4-methyl-, 4-pentylphenyl ester
    • 4-methylbenzoic acid-4'-(n-pentyl)phenol ester
    • 4-n-Pentylphenyl 4-methylbenzoate
    • 4-Pentylphenyl-4'-methyl benzoate
    • 4-Pentylphenyl 4-methylbenzoate, 97%
    • CS-W012260
    • SCHEMBL3624271
    • AKOS015917695
    • 4-Methyl-benzoic acid 4-pentyl-phenyl ester
    • W-105940
    • DS-12623
    • MFCD01076322
    • FT-0650012
    • 50649-59-7
    • NS00032112
    • SY240013
    • DTXSID40198692
    • OFNFLSYTTLXGBM-UHFFFAOYSA-N
    • MDL: MFCD01076322
    • Inchi: 1S/C19H22O2/c1-3-4-5-6-16-9-13-18(14-10-16)21-19(20)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
    • InChI Key: OFNFLSYTTLXGBM-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(C)=CC=1)=O)C1C=CC(=CC=1)CCCCC

Computed Properties

  • Exact Mass: 282.16206
  • Monoisotopic Mass: 282.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 297
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 6.1

Experimental Properties

  • Melting Point: 34-38?°C
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • PSA: 26.3

4-Pentylphenyl 4-methylbenzoate Security Information

  • Hazard Statement: H413
  • Hazardous Material transportation number:UN 3082
  • WGK Germany:3
  • Hazard Category Code: 50/53
  • Safety Instruction: 60-61
  • Hazardous Material Identification: N
  • Storage Condition:2-8°C
  • Risk Phrases:R50/53
  • Safety Term:S60;S61

4-Pentylphenyl 4-methylbenzoate Pricemore >>

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