Cas no 598-25-4 (3-Methyl-1,2-butadiene)

3-Methyl-1,2-butadiene (C?H?) is a volatile, flammable hydrocarbon with applications in organic synthesis and polymer chemistry. Its conjugated diene structure enables Diels-Alder reactions, making it valuable for producing specialty chemicals and elastomers. The compound's reactivity and low molecular weight offer advantages in controlled polymerization processes and fine chemical manufacturing. Proper handling is required due to its instability.
3-Methyl-1,2-butadiene structure
3-Methyl-1,2-butadiene structure
Product Name:3-Methyl-1,2-butadiene
CAS No:598-25-4
MF:C5H8
MW:68.1170215606689
MDL:MFCD00008896
CID:82654
PubChem ID:87572643
Update Time:2025-06-17

3-Methyl-1,2-butadiene Chemical and Physical Properties

Names and Identifiers

    • 3-Methyl-1,2-butadiene
    • 3,3-Dimethylallene
    • 3-methylbuta-1,2-diene
    • 1,1-Dimethylallene
    • MDL： MFCD00008896
    • Inchi： 1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
    • InChI Key： PAKGDPSCXSUALC-UHFFFAOYSA-N
    • SMILES： C(=C=C)(C)C
    • BRN： 1697090

Computed Properties

  • Exact Mass: 68.06260
  • Monoisotopic Mass: 68.0626
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 0
  • Complexity: 60.1
  • 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
  • Topological Polar Surface Area: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.7

Experimental Properties

  • Density: 0.694?g/mL?at 25?°C(lit.)
  • Melting Point: ?148?°C (lit.)
  • Boiling Point: 40°C
  • Flash Point: Fahrenheit: 10.4 ° f < br / > Celsius: -12 ° C < br / >
  • Refractive Index: n20/D 1.419(lit.)
  • Solubility: Soluble in ether, benzene, acetone, ethanol.
  • PSA: 0.00000
  • LogP: 1.73750
  • Vapor Pressure: 6.87 psi ( 20 °C)
  • Sensitiveness: Air Sensitive

3-Methyl-1,2-butadiene Security Information

3-Methyl-1,2-butadiene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
M0621-1ML
3-Methyl-1,2-butadiene
 598-25-4 >97.0%(GC)
1ml
 ￥1000.00 2024-04-16
A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI
L10159-1g
3-Methyl-1,2-butadiene, 97%
 598-25-4 97%
1g
 ￥1194.00 2023-04-12
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
110930-1G
3-Methyl-1,2-butadiene
 598-25-4
1g
 ￥1153.81 2023-12-10
abcr
AB178939-1 g
3-Methyl-1,2-butadiene, 97+%; .
 598-25-4
1g
 €100.50 2022-06-11
abcr
AB178939-1 ml
3-Methyl-1,2-butadiene, 97+%; .
 598-25-4
1 ml
 €101.70 2024-04-17
SHANG HAI XIAN DING Biotechnology Co., Ltd.
M0621-1ml
3-Methyl-1,2-butadiene
 598-25-4 97.0%(GC)
1ml
 ￥905.0 2022-06-10
SHANG HAI XIAN DING Biotechnology Co., Ltd.
TJ706-0.2ml
3-Methyl-1,2-butadiene
 598-25-4 97.0%(GC)
0.2ml
 ￥378.0 2022-06-10
abcr
AB178939-1ml
3-Methyl-1,2-butadiene, 97+%; .
 598-25-4
1ml
 €100.40 2025-02-21

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