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695580

Sigma-Aldrich

1,3-Butadiene solution

20 wt. % in toluene

Synonym(s):

Bivinyl, Vinylethylene, alpha,gamma-Butadiene

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About This Item

Empirical Formula (Hill Notation):
C4H6
CAS Number:
106-99-0
Molecular Weight:
54.09
MDL number:
MFCD00008659
UNSPSC Code:
12352100
PubChem Substance ID:
329761753
NACRES:
NA.22

form

liquid

concentration

20 wt. % in toluene

refractive index

n20/D 1.493

density

0.806 g/mL at 25 °C

storage temp.

2-8°C

SMILES string

C=CC=C

InChI

1S/C4H6/c1-3-4-2/h3-4H,1-2H2

InChI key

KAKZBPTYRLMSJV-UHFFFAOYSA-N

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Application

1,3-Butadiene can be used:
  • In the synthesis of 1,6-hexanedial (adipic aldehyde) by bis-hydroformylation using rhodium as a catalyst.
  • As a monomer for the synthesis of cis-1,4-polybutadiene by polymerization using cobalt(II) and nickel(II) complex catalysts.
  • As a precursor for the selective synthesis of butene by hydrogenation reaction.

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Flam. Liq. 2 - Muta. 1B - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-105.0 °F

Flash Point(C)

-76.11 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Polymerization of 1, 3-butadiene catalyzed by cobalt (II) and nickel (II) complexes bearing imino-or amino-pyridyl alcohol ligands in combination with ethylaluminum sesquichloride
Ai Pengfei, et al.
Journal of Organometallic Chemistry, 705(13), 51-58 (2012)
Single-atom Pd1/graphene catalyst achieved by atomic layer deposition: remarkable performance in selective hydrogenation of 1, 3-butadiene
Yan H, et al.
Journal of the American Chemical Society, 137(33), 10484-10487 (2015)
Toward the Rhodium-Catalyzed Bis-Hydroformylation of 1, 3-Butadiene to Adipic Aldehyde
Smith SE, et al.
Organometallics, 30(13), 3643-3651 (2011)
Mohammed Bahou et al.
The Journal of chemical physics, 137(8), 084310-084310 (2012-09-04)
The reactions of chlorine and hydrogen atoms with trans-1,3-butadiene in solid para-hydrogen (p-H(2)) were investigated with infrared (IR) absorption spectra. When a p-H(2) matrix containing Cl(2) and trans-1,3-butadiene was irradiated with ultraviolet light at 365 nm, intense lines at 650.3
R I Kaiser et al.
The journal of physical chemistry. A, 116(17), 4248-4258 (2012-04-14)
The crossed beam reactions of the phenyl radical (C(6)H(5), X(2)A(1)) with 1,3-butadiene (C(4)H(6), X(1)A(g)) and D6-1,3-butadiene (C(4)D(6), X(1)A(g)) as well as of the D5-phenyl radical (C(6)D(5), X(2)A(1)) with 2,3-D2-1,3-butadiene and 1,1,4,4-D4-1,3-butadiene were carried out under single collision conditions at collision
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