Cas no 5205-10-7 (Heptanoic acid,3-methyl-2-buten-1-yl ester)

Heptanoic acid,3-methyl-2-buten-1-yl ester structure
5205-10-7 structure
Product Name:Heptanoic acid,3-methyl-2-buten-1-yl ester
CAS No:5205-10-7
MF:C12H22O2
MW:198.301884174347
CID:381319
PubChem ID:78880
Update Time:2025-04-19

Heptanoic acid,3-methyl-2-buten-1-yl ester Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid,3-methyl-2-buten-1-yl ester
    • PRENYL-HEPTANOATE
    • 3-methylbut-2-en-1-yl heptanoate
    • EINECS 225-997-1
    • Prenyl heptanoate
    • 44JV73R3QG
    • 5205-10-7
    • 2-Buten-1-ol, 3-methyl-, heptanoate
    • 3-Methylbut-2-enyl heptanoate
    • DTXSID0063737
    • NS00044708
    • Heptanoic acid, 3-methyl-2-buten-1-yl ester
    • Heptanoic acid, 3-methyl-2-butenyl ester
    • Inchi： 1S/C12H22O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h9H,4-8,10H2,1-3H3
    • InChI Key： KRSMRYMDTIADOD-UHFFFAOYSA-N
    • SMILES： O(C/C=C(\C)/C)C(CCCCCC)=O

Computed Properties

  • Exact Mass: 197.15400
  • Monoisotopic Mass: 198.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 179
  • 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
  • Topological Polar Surface Area: 26.3A^2
  • XLogP3: 4.1

Experimental Properties

  • Density: 0.887
  • Boiling Point: 255.2 °C at 760 mmHg
  • Flash Point: 86 °C
  • Refractive Index: 1.443
  • PSA: 40.13000
  • LogP: 2.28910

Heptanoic acid,3-methyl-2-buten-1-yl ester Customs Data

  • HS CODE：2915900090
  • Customs Data：

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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