Cas no 898757-18-1 (Ethyl 5-oxo-5-(4-n-pentylphenyl)valerate)

Ethyl 5-oxo-5-(4-n-pentylphenyl)valerate structure
898757-18-1 structure
Product Name:Ethyl 5-oxo-5-(4-n-pentylphenyl)valerate
CAS No:898757-18-1
MF:C18H26O3
MW:290.397245883942
MDL:MFCD02261400
CID:993988
PubChem ID:24727551
Update Time:2025-04-20

Ethyl 5-oxo-5-(4-n-pentylphenyl)valerate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-oxo-5-(4-n-pentylphenyl)valerate
    • ethyl 5-oxo-5-(4-pentylphenyl)pentanoate
    • MFCD02261400
    • AKOS016023041
    • DTXSID10645769
    • 898757-18-1
    • ethyl5-oxo-5-(4-n-pentylphenyl)valerate
    • Benzenepentanoic acid, δ-oxo-4-pentyl-, ethyl ester
    • MDL: MFCD02261400
    • Inchi: 1S/C18H26O3/c1-3-5-6-8-15-11-13-16(14-12-15)17(19)9-7-10-18(20)21-4-2/h11-14H,3-10H2,1-2H3
    • InChI Key: CWPFJBQUGDVZMN-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)CCCCC)CCCC(=O)OCC

Computed Properties

  • Exact Mass: 290.18800
  • Monoisotopic Mass: 290.18819469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 11
  • Complexity: 304
  • 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: 4.5
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.003±0.06 g/cm3(Predicted)
  • Boiling Point: 412.6±38.0 °C(Predicted)
  • PSA: 43.37000
  • LogP: 4.33540

Ethyl 5-oxo-5-(4-n-pentylphenyl)valerate 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%

Ethyl 5-oxo-5-(4-n-pentylphenyl)valerate Pricemore >>

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