Cas no 1113-56-0 (2,3-dimethyl-1,3-pentadiene)

2,3-dimethyl-1,3-pentadiene structure
2,3-dimethyl-1,3-pentadiene structure
Product Name:2,3-dimethyl-1,3-pentadiene
CAS No:1113-56-0
MF:C7H12
MW:96.1701822280884
CID:894432
PubChem ID:137118
Update Time:2025-04-19

2,3-dimethyl-1,3-pentadiene Chemical and Physical Properties

Names and Identifiers

    • 2,3-dimethyl-1,3-pentadiene
    • 2,3-dimethylpenta-1,3-diene
    • 1,3-Pentadiene,2,3-dimethyl
    • Inchi： 1S/C7H12/c1-5-7(4)6(2)3/h5H,2H2,1,3-4H3
    • InChI Key： PCCCQOGUVCNYOI-UHFFFAOYSA-N
    • SMILES： C(=CC)(C)C(=C)C

Computed Properties

  • Exact Mass: 96.09390
  • Monoisotopic Mass: 96.093900383g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 96.6
  • 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: 3.3
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 2.52870

2,3-dimethyl-1,3-pentadiene 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%

2,3-dimethyl-1,3-pentadiene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Ruthenium phosphide (RuP2) ,  Molybdenum phosphide (MoP) ,  Silica Gel 60 ;  2 h, 600 °C; 600 °C → 450 °C; 15 min, 450 °C
1.2 Reagents: Hydrogen ;  9 h, 100 mbar, 450 °C
Reference
A Highly Stable Bimetallic Transition Metal Phosphide Catalyst for Selective Dehydrogenation of n-Heptane
Stober, Robert; et al, ChemCatChem, 2022, 14(18),

2,3-dimethyl-1,3-pentadiene Preparation Products

2,3-dimethyl-1,3-pentadiene Related Literature

Related Categories

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