Cas no 76649-22-4 (Hexanoic acid,3-methyl-2-buten-1-yl ester)

Hexanoic acid,3-methyl-2-buten-1-yl ester structure
76649-22-4 structure
Product Name:Hexanoic acid,3-methyl-2-buten-1-yl ester
CAS No:76649-22-4
MF:C11H20O2
MW:184.275303840637
CID:571958
PubChem ID:173534
Update Time:2025-04-19

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

Names and Identifiers

    • Hexanoic acid,3-methyl-2-buten-1-yl ester
    • 3-methylbut-2-enyl hexanoate
    • PRENYL CAPROATE
    • 3-Methyl-2-butenyl hexanoate
    • Hexanoic acid,3-methyl-2-butenyl ester
    • Prenyl hexanoate
    • N-BUTYLHEXAMETHYLENEIMINE97
    • EINECS 278-515-7
    • 44Y3T9J41Z
    • UNII-44Y3T9J41Z
    • Hexanoic acid, 3-methylbut-2-enyl ester
    • AKOS006241585
    • PRENYL CAPROATE [FHFI]
    • FEMA NO. 4204
    • CHEBI:172046
    • Hexanoic acid, 3-methyl-2-buten-1-yl ester
    • DTXSID1072840
    • 3-Methyl-2-butenyl hexanoate #
    • MUVXQQVJNUBWPF-UHFFFAOYSA-N
    • Q27258770
    • SCHEMBL2418388
    • FT-0741505
    • Hexanoic acid, 3-methyl-2-butenyl ester
    • 3-methylbut-2-en-1-yl hexanoate
    • NS00022765
    • 76649-22-4
    • Inchi： 1S/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h8H,4-7,9H2,1-3H3
    • InChI Key： MUVXQQVJNUBWPF-UHFFFAOYSA-N
    • SMILES： O(C/C=C(\C)/C)C(CCCCC)=O

Computed Properties

  • Exact Mass: 184.14600
  • Monoisotopic Mass: 184.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 167
  • 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: 3.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 3.07610
  • FEMA: 4204 | PRENYL CAPROATE

Hexanoic 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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