Cas no 18847-18-2 (Benzenepentanoic acid,4-(1-methylethyl)-d-oxo-)

Benzenepentanoic acid,4-(1-methylethyl)-d-oxo- structure
18847-18-2 structure
Product Name:Benzenepentanoic acid,4-(1-methylethyl)-d-oxo-
CAS No:18847-18-2
MF:C14H18O3
MW:234.290924549103
CID:225699
PubChem ID:177018
Update Time:2025-04-19

Benzenepentanoic acid,4-(1-methylethyl)-d-oxo- Chemical and Physical Properties

Names and Identifiers

    • Benzenepentanoic acid,4-(1-methylethyl)-d-oxo-
    • 5-(4-iso-Propylphenyl)-5-oxovaleric acid
    • 5-(4-Isopropylphenyl)-5-oxovaleric acid
    • 5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
    • 5-(4-isopropyl-phenyl)-5-oxo-pentanoic acid
    • OTAVA-BB 1043532
    • DTXSID20172197
    • ZDLSMQFJULLIEF-UHFFFAOYSA-N
    • MFCD02260953
    • 5-oxo-5-[4-(propan-2-yl)phenyl]pentanoic acid
    • CS-0336678
    • 5-(4-ISOPROPYLPHENYL)-5-OXOPENTANOIC ACID
    • Benzenepentanoic acid, 4-(1-methylethyl)-delta-oxo-
    • SCHEMBL1114978
    • 18847-18-2
    • 5-(4-iso-Propylphenyl)-5-oxovalericacid
    • J-012144
    • AKOS009164691
    • Butyric acid, 4-(p-isopropylbenzoyl)-
    • MDL: MFCD02260953
    • Inchi: 1S/C14H18O3/c1-10(2)11-6-8-12(9-7-11)13(15)4-3-5-14(16)17/h6-10H,3-5H2,1-2H3,(H,16,17)
    • InChI Key: ZDLSMQFJULLIEF-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)C(C)C)CCCC(=O)O

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: 6
  • Complexity: 263
  • 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: 2.9
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Melting Point: 79-80°C
  • PSA: 54.37000
  • LogP: 3.24760

Benzenepentanoic acid,4-(1-methylethyl)-d-oxo- Security Information

Benzenepentanoic acid,4-(1-methylethyl)-d-oxo- 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%

Benzenepentanoic acid,4-(1-methylethyl)-d-oxo- Pricemore >>

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