Cas no 53398-86-0 (Hexanoic acid,(2E)-2-hexen-1-yl ester)

Hexanoic acid,(2E)-2-hexen-1-yl ester structure
53398-86-0 structure
Product Name:Hexanoic acid,(2E)-2-hexen-1-yl ester
CAS No:53398-86-0
MF:C12H22O2
MW:198.301884174347
MDL:MFCD00036551
CID:371407
PubChem ID:87565960
Update Time:2025-08-03

Hexanoic acid,(2E)-2-hexen-1-yl ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,(2E)-2-hexen-1-yl ester
    • trans-2-Hexenyl Hexanoate
    • Caproicacdihexenylester
    • Einecs 258-519-5
    • FEMA 3983
    • Hexanoic Acid trans-2-Hexenyl Ester
    • T2 HEXENYL HEXANOATE
    • TRANS-2-HEXENYL CAPROATE
    • trans-Hexylhexanoate
    • MDL： MFCD00036551
    • Inchi： 1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
    • InChI Key： UQPLEMTXCSYMEK-VQHVLOKHSA-N
    • SMILES： CCCCCC(OC/C=C/CCC)=O

Computed Properties

  • Exact Mass: 198.16200
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 9
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.9

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.88
  • Boiling Point: 79°C/3mmHg(lit.)
  • Flash Point: 104 °C
  • Refractive Index: 1.4350-1.4390
  • PSA: 26.30000
  • LogP: 3.46620
  • Solubility: Not determined
  • FEMA: 3983 | (E)-2-HEXENYL HEXANOATE

Hexanoic acid,(2E)-2-hexen-1-yl ester Security Information

  • Hazardous Material transportation number：1544
  • WGK Germany：3
  • Safety Instruction： S37/39; S26; S36
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38

Hexanoic acid,(2E)-2-hexen-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%

Hexanoic acid,(2E)-2-hexen-1-yl ester Pricemore >>

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Hexanoic acid,(2E)-2-hexen-1-yl ester Production Method

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