Cas no 97228-60-9 (Methyl 2-octylacetoacetate)

Methyl 2-octylacetoacetate structure
Methyl 2-octylacetoacetate structure
Product Name:Methyl 2-octylacetoacetate
CAS No:97228-60-9
MF:C13H24O3
MW:228.327864646912
CID:61888
PubChem ID:10105178
Update Time:2025-04-18

Methyl 2-octylacetoacetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-octylacetoacetate
    • 2-Acetyldecanoic acid methyl ester
    • methyl 2-acetyldecanoate
    • methyl (RS)-2-octyl-3-oxobutyrate
    • methyl 2-n-octylacetoacetate
    • LDLMUYNNJGCHEN-UHFFFAOYSA-N
    • 97228-60-9
    • SCHEMBL7635540
    • Methyl2-Octylacetoacetate
    • DTXSID60435692
    • Inchi： 1S/C13H24O3/c1-4-5-6-7-8-9-10-12(11(2)14)13(15)16-3/h12H,4-10H2,1-3H3
    • InChI Key： LDLMUYNNJGCHEN-UHFFFAOYSA-N
    • SMILES： O(C)C(C(C(C)=O)CCCCCCCC)=O

Computed Properties

  • Exact Mass: 228.17300
  • Monoisotopic Mass: 228.17254462g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 10
  • Complexity: 211
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 4.1
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 0.935
  • Boiling Point: 267 oC
  • Flash Point: 108 oC
  • Refractive Index: 1.438
  • PSA: 43.37000
  • LogP: 3.11520

Methyl 2-octylacetoacetate 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%

Methyl 2-octylacetoacetate Related Literature

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