Cas no 72271-71-7 (4-(4-Butylphenyl)-4-oxobutanoic acid)

4-(4-Butylphenyl)-4-oxobutanoic acid is a specialized organic compound featuring a butylphenyl group linked to a ketone and a carboxylic acid functionality. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and fine chemicals. The presence of both ketone and carboxyl groups allows for versatile reactivity, including condensation and nucleophilic addition reactions. Its well-defined molecular architecture ensures consistent performance in synthetic applications. The compound is typically characterized by high purity and stability, making it suitable for research and industrial processes requiring precise chemical transformations. Proper handling and storage under inert conditions are recommended to maintain its integrity.
4-(4-Butylphenyl)-4-oxobutanoic acid structure
72271-71-7 structure
Product Name:4-(4-Butylphenyl)-4-oxobutanoic acid
CAS No:72271-71-7
MF:C14H18O3
MW:234.290924549103
MDL:MFCD00173764
CID:562248
PubChem ID:2801475
Update Time:2025-05-28

4-(4-Butylphenyl)-4-oxobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(4-Butylphenyl)-4-oxobutanoic acid
    • 4-(4-n-Butylphenyl)-4-oxobutyric acid
    • Benzenebutanoic acid,4-butyl-g-oxo-
    • G-KG
    • 4-Butyl-G-Oxo-Benzenebutanoic Acid
    • A837470
    • 4-(4-Butylphenyl)-4-oxobutanoicacid
    • AKOS000156562
    • 72271-71-7
    • 3-(4-n-butylbenzoyl)propionic acid
    • HMS547C02
    • DTXSID20384258
    • 4-(4-butylphenyl)-4-oxidanylidene-butanoic acid
    • CQXSYJVVDLNUAJ-UHFFFAOYSA-N
    • 4-[4-(1-butyl)phenyl]-4-oxobutyric acid
    • Oprea1_125916
    • Maybridge1_001982
    • SCHEMBL7813104
    • Z285137154
    • MFCD00173764
    • CCG-236255
    • EN300-50190
    • FT-0641403
    • AE-641/00389020
    • DB-055620
    • MDL： MFCD00173764
    • Inchi： 1S/C14H18O3/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14(16)17/h5-8H,2-4,9-10H2,1H3,(H,16,17)
    • InChI Key： CQXSYJVVDLNUAJ-UHFFFAOYSA-N
    • SMILES： O=C(CCC(=O)O)C1C=CC(=CC=1)CCCC

Computed Properties

  • Exact Mass: 234.12600
  • Monoisotopic Mass: 234.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 252
  • 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: 3.5
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Melting Point: 109-111°C
  • PSA: 54.37000
  • LogP: 3.07670

4-(4-Butylphenyl)-4-oxobutanoic acid Security Information

4-(4-Butylphenyl)-4-oxobutanoic 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-(4-Butylphenyl)-4-oxobutanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B491010-100mg
4-(4-Butylphenyl)-4-oxobutanoic Acid
 72271-71-7
100mg
 $ 50.00 2022-06-07
TRC
B491010-500mg
4-(4-Butylphenyl)-4-oxobutanoic Acid
 72271-71-7
500mg
 $ 115.00 2022-06-07
TRC
B491010-1g
4-(4-Butylphenyl)-4-oxobutanoic Acid
 72271-71-7
1g
 $ 160.00 2022-06-07
Fluorochem
022995-1g
4-(4-n-Butylphenyl)-4-oxobutyric acid
 72271-71-7 95%
1g
 ￡24.00 2022-03-01
Fluorochem
022995-5g
4-(4-n-Butylphenyl)-4-oxobutyric acid
 72271-71-7 95%
5g
 ￡85.00 2022-03-01
Fluorochem
022995-25g
4-(4-n-Butylphenyl)-4-oxobutyric acid
 72271-71-7 95%
25g
 ￡179.00 2022-03-01
eNovation Chemicals LLC
Y1246707-1g
4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID
 72271-71-7 95%
1g
 $165 2024-06-06
eNovation Chemicals LLC
Y1246707-5g
4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID
 72271-71-7 95%
5g
 $245 2024-06-06
eNovation Chemicals LLC
Y1246707-25g
4-(4-N-BUTYLPHENYL)-4-OXOBUTYRIC ACID
 72271-71-7 95%
25g
 $780 2024-06-06
Enamine
EN300-50190-0.05g
4-(4-butylphenyl)-4-oxobutanoic acid
 72271-71-7 95.0%
0.05g
 $19.0 2025-02-20

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