Cas no 64779-07-3 (4-oxo-4-(4-pentylphenyl)butanoic acid)

4-oxo-4-(4-pentylphenyl)butanoic acid structure
64779-07-3 structure
Product Name:4-oxo-4-(4-pentylphenyl)butanoic acid
CAS No:64779-07-3
MF:C15H20O3
MW:248.317504882813
CID:501727
PubChem ID:2063246
Update Time:2025-04-19

4-oxo-4-(4-pentylphenyl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenebutanoic acid, g-oxo-4-pentyl-
    • 4-Oxo-4-(4-n-pentylphenyl)butyric acid
    • 4-OXO-4-(4-PENTYLPHENYL)BUTANOIC ACID
    • HMS547A02
    • A834880
    • MIHIJXVJKUGJED-UHFFFAOYSA-N
    • EN300-17173
    • FT-0619338
    • Z56899026
    • 3-(4-n-pentylbenzoyl)propanoic acid
    • DTXSID80366217
    • Maybridge1_001938
    • MFCD00173763
    • SR-01000642173-1
    • 64779-07-3
    • CCG-52977
    • SCHEMBL3135443
    • CS-0236534
    • AKOS001044466
    • 4-oxo-4-(4-pentylphenyl)butanoic acid
    • MDL: MFCD00173763
    • Inchi: 1S/C15H20O3/c1-2-3-4-5-12-6-8-13(9-7-12)14(16)10-11-15(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18)
    • InChI Key: MIHIJXVJKUGJED-UHFFFAOYSA-N
    • SMILES: O=C(CCC(=O)O)C1C=CC(=CC=1)CCCCC

Computed Properties

  • Exact Mass: 248.14100
  • Monoisotopic Mass: 248.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 8
  • Complexity: 265
  • 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: 4
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.1±0.1 g/cm3
  • Melting Point: 93 °C
  • Boiling Point: 429.5±38.0 °C at 760 mmHg
  • Flash Point: 227.7±23.3 °C
  • Refractive Index: 1.523
  • PSA: 54.37000
  • LogP: 3.46680
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

4-oxo-4-(4-pentylphenyl)butanoic acid Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

4-oxo-4-(4-pentylphenyl)butanoic acid Pricemore >>

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abcr
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