Cas no 10588-10-0 (Pentanoic acid,2-methylpropyl ester)

Pentanoic acid,2-methylpropyl ester structure
10588-10-0 structure
Product Name:Pentanoic acid,2-methylpropyl ester
CAS No:10588-10-0
MF:C9H18O2
MW:158.238023281097
MDL:MFCD00085201
CID:174432
Update Time:2025-04-19

Pentanoic acid,2-methylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,2-methylpropyl ester
    • Isobutyl Valerate
    • ISO-BUTYL-VALERATE
    • 2-methylpropyl pentanoate
    • ISOBUTYL N-VALERATE
    • Isobutyl valerinate
    • Isobutyl pentanoate
    • 2-Methylpropyl valerate
    • pentanoicacidisobutylester
    • 2-METHYL-1-PROPYL PENTANOATE
    • 2-Methyl-1-propyl n-valerate
    • Valeric acid, isobutyl ester
    • PENTANOIC ACID 2-METHYLPROPYL ESTER
    • MDL： MFCD00085201
    • Inchi： 1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3
    • InChI Key： ADNADZOSMJDVIS-UHFFFAOYSA-N
    • SMILES： CCCCC(OCC(C)C)=O

Computed Properties

  • Exact Mass: 158.13100
  • Monoisotopic Mass: 158.13068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 108
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 0.8625
  • Melting Point: -92.8°C (estimate)
  • Boiling Point: 183.34°C (estimate)
  • Flash Point: 59.4°C
  • Refractive Index: 1.4046
  • PSA: 26.30000
  • LogP: 2.37580
  • Solubility: Not available

Pentanoic acid,2-methylpropyl ester Customs Data

  • HS CODE：2915600000
  • Customs Data：

    China Customs Code:

    2915600000

    Overview:

    HS:2915600000 butyrate\Valeric acid, its salts and esters VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Pentanoic acid,2-methylpropyl ester Pricemore >>

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