1,3-Butadiene

Base Information

• Chemical Name: 1,3-Butadiene
• CAS No.: 31567-90-5
• Deprecated CAS: 130983-70-9,183592-61-2,1213224-27-1,25339-57-5,1213224-27-1
• Molecular Formula: C4H6
• Molecular Weight: 54.09
• European Community (EC) Number: 203-450-8,953-853-4
• ICSC Number: 0017
• UN Number: 1010
• UNII: JSD5FGP5VD
• DSSTox Substance ID: DTXSID3020203
• Nikkaji Number: J1.242.414K,J4.043F,J3.623.750C
• Wikipedia: Butadiene,1,3-butadiene
• Wikidata: Q161503
• NCI Thesaurus Code: C29790
• Metabolomics Workbench ID: 49537
• ChEMBL ID: CHEMBL537970
• Mol file: 31567-90-5.mol

Synonyms:1,3-butadiene;butadiene;divinyl

Chemical Property of 1,3-Butadiene

Chemical Property:

• Appearance/Colour: black slabs
• Melting Point: ?6 °C
• Refractive Index: n20/D 1.524
• Flash Point: 500 °F
• PSA: 0.00000
• Density: 1.12 g/mL at 25 °C(lit.)
• LogP: 0.00000
• Solubility.: aliphatic hydrocarbons: soluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 54.0469501914
• Heavy Atom Count: 4
• Complexity: 21
• Transport DOT Label: Flammable Gas

Purity/Quality:

99.0% ^*data from raw suppliers

Polybutadiene, cis average Mw 200,000-300,000 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Other Monomers
• Canonical SMILES: C=CC=C
• Inhalation Risk: A harmful concentration of this gas in the air will be reached very quickly on loss of containment.
• Effects of Short Term Exposure: The substance at very high concentrations is irritating to the eyes and respiratory tract. Rapid evaporation of the liquid may cause frostbite. Inhalation of high concentrations may cause depression of the central nervous system.
• Effects of Long Term Exposure: The substance may have effects on the bone marrow. This substance is carcinogenic to humans. May cause heritable genetic damage to human germ cells.
• Use Description: Polybutadiene is a synthetic polymer with a wide range of applications in various fields. In the field of rubber and tire manufacturing, it is a key component in the production of synthetic rubber, contributing to the improved wear resistance, grip, and durability of tires used in automotive and industrial vehicles. In the construction industry, polybutadiene-based sealants and adhesives are used for their excellent flexibility and weather resistance, making them suitable for sealing joints in buildings and other structures. Additionally, in the aerospace sector, polybutadiene-based elastomers and composites find use in manufacturing aircraft components due to their lightweight and high-temperature stability properties. In summary, polybutadiene plays a crucial role in enhancing the performance and durability of products in the rubber, construction, and aerospace industries, among others.