Cas no 27477-37-8 (2-methyl-hexadiene)

2-methyl-hexadiene structure
2-methyl-hexadiene structure
Product Name:2-methyl-hexadiene
CAS No:27477-37-8
MF:C7H12
MW:96.1701822280884
CID:914820
PubChem ID:19965
Update Time:2025-04-19

2-methyl-hexadiene Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-hexadiene
    • DTXSID00193502
    • NSC 66540
    • NS00030802
    • 1,5-Hexadiene, 2-methyl-
    • 2-METHYL-1,5-HEXADIENE
    • EINECS 223-751-8
    • 2-Methyldiallyl
    • M0339
    • AKOS015912573
    • NSC-66540
    • 2-Methyl-1,5-hexadiene, 97%
    • sym-Vinylisopropenylethane
    • CH2=C(CH3)CH2CH2CH=CH2
    • 4049-81-4
    • MFCD00008603
    • 5-Methyldiallyl
    • NSC66540
    • P8XEZ338QB
    • 27477-37-8
    • UNII-P8XEZ338QB
    • 2-Methylhexa-1,5-diene
    • D91319
    • Inchi: 1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3
    • InChI Key: SLQMKNPIYMOEGB-UHFFFAOYSA-N
    • SMILES: C(C(=C)C)CC=C

Computed Properties

  • Exact Mass: 96.093900383g/mol
  • 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: 3
  • Complexity: 70.1
  • 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: 3.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.712?g/mL?at 25?°C(lit.)
  • Boiling Point: 92?°C(lit.)
  • Flash Point: 10?°F
  • Refractive Index: n20/D 1.417(lit.)

2-methyl-hexadiene Security Information

  • Hazardous Material transportation number:UN 3295 3/PG 2
  • WGK Germany:3
  • Hazard Category Code: 11
  • Safety Instruction: 16-29-33
  • Hazardous Material Identification: F
  • HazardClass:3.1
  • PackingGroup:II
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