Cas no 1087-26-9 (hexyl gallate)

hexyl gallate structure
hexyl gallate structure
Product Name:hexyl gallate
CAS No:1087-26-9
MF:C13H18O5
MW:254.279024600983
MDL:MFCD00051936
CID:894127
Update Time:2025-04-19

hexyl gallate Chemical and Physical Properties

Names and Identifiers

    • hexyl gallate
    • hexyl 3,4,5-trihydroxybenzoate
    • 3,4,5-Trihydroxy-benzoesaeure-hexylester
    • 3,4,5-trihydroxy-benzoic acid hexyl ester
    • Benzoic acid,3,4,5-trihydroxy-,hexyl ester
    • Gallussaeure-hexylester
    • n-hexyl gallate
    • Gallic acid hexyl ester
    • MDL： MFCD00051936
    • Inchi： 1S/C13H18O5/c1-2-3-4-5-6-18-13(17)9-7-10(14)12(16)11(15)8-9/h7-8,14-16H,2-6H2,1H3
    • InChI Key： DQHJNOHLEKVUHU-UHFFFAOYSA-N
    • SMILES： O(C(C1C=C(C(=C(C=1)O)O)O)=O)CCCCCC

Computed Properties

  • Exact Mass: 254.11500
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 244
  • 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: 14
  • XLogP3: nothing

Experimental Properties

  • Density: 1.239±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 94 oC
  • Solubility: Very slightly soluble (0.64 g/l) (25 o C),
  • PSA: 86.99000
  • LogP: 2.54050

hexyl gallate Customs Data

  • HS CODE：2918290000
  • Customs Data：

    China Customs Code:

    2918290000

    Overview:

    2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.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

    Summary:

    HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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