Cas no 1002-33-1 (1,3-Octadiene)

1,3-Octadiene structure
1,3-Octadiene structure
Product Name:1,3-Octadiene
CAS No:1002-33-1
MF:C8H14
MW:110.196762561798
CID:213032
PubChem ID:517653
Update Time:2025-04-19

1,3-Octadiene Chemical and Physical Properties

Names and Identifiers

    • 1,3-Octadiene
    • 1 3-OCTADIENE TECH. GRADE
    • (3E)-1,3-Octadiene
    • (E)-1,3-Octadiene
    • (3E)-octa-1,3-diene
    • 63597-41-1
    • Q27161833
    • (3E)-1,3-Octadiene #
    • Octadiene [UN2309] [Flammable liquid]
    • 1002-33-1
    • UN2309
    • Octadiene [UN2309] [Flammable liquid]
    • (E)-octa-1,3-diene
    • DTXSID301020810
    • CHEBI:89638
    • AKOS006274075
    • 39491-65-1
    • QTYUSOHYEPOHLV-FNORWQNLSA-N
    • 1,3-Octadiene, E
    • Octadiene
    • 1,3-Octadiene, trans
    • 1,3-OCTADIENE 98%
    • Inchi: 1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+
    • InChI Key: QTYUSOHYEPOHLV-FNORWQNLSA-N
    • SMILES: C(C/C=C/C=C)CC

Computed Properties

  • Exact Mass: 110.11000
  • Monoisotopic Mass: 110.10955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 70.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0
  • XLogP3: 3.6

Experimental Properties

  • Density: 0.738±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 130-131 oC
  • Flash Point: 17.2±13.0 oC,
  • Refractive Index: 1.4501 (589.3 nm 20 oC)
  • Solubility: Almost insoluble (0.011 g/l) (25 o C),
  • PSA: 0.00000
  • LogP: 2.91880

1,3-Octadiene Customs Data

  • HS CODE:2901299090
  • Customs Data:

    China Customs Code:

    2901299090

    Overview:

    2901299090 Other unsaturated acyclic hydrocarbons.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported

    Summary:

    2901299090 unsaturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

1,3-Octadiene Related Literature

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