18869
1,3-Butadiene
puriss., ≥99.5% (GC)
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About This Item
Linear Formula:
CH2=CHCH=CH2
CAS Number:
Molecular Weight:
54.09
Beilstein:
605258
EC Number:
MDL number:
UNSPSC Code:
12142100
PubChem Substance ID:
vapor density
1.9 (15 °C, vs air)
vapor pressure
1863 mmHg ( 21 °C)
grade
puriss.
Assay
≥99.5% (GC)
autoignition temp.
788 °F
expl. lim.
12 %
impurities
≤0.05% isobutylene
≤0.1% 1-butene
≤0.1% trans-2-butene
bp
−4.5 °C (lit.)
mp
−109 °C (lit.)
density
0.62 g/mL at 20 °C (lit.)
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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Biochem/physiol Actions
Environmental carcinogen. Induces cardiac hemangiosarcomas in mice.
Packaging
pressure tin with 10 mL (net ~6.2 g)
Other Notes
Sales restrictions may apply
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas
Storage Class Code
2A - Gases
WGK
WGK 3
Flash Point(F)
-104.8 °F - closed cup
Flash Point(C)
-76 °C - closed cup
Regulatory Information
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Dewakar Sangaraju et al.
Analytical chemistry, 84(3), 1732-1739 (2012-01-10)
1,3-Butadiene (BD) is an important industrial chemical and a common environmental pollutant present in urban air. BD is classified as a human carcinogen based on epidemiological evidence for an increased incidence of leukemia in workers occupationally exposed to BD and
Gunnar Boysen et al.
Toxicological sciences : an official journal of the Society of Toxicology, 125(1), 30-40 (2011-10-18)
1,3-Butadiene (BD) is an important industrial chemical that is classified as a human carcinogen. BD carcinogenicity has been attributed to its metabolism to several reactive epoxide metabolites and formation of the highly mutagenic 1,2:3,4-diepoxybutane (DEB) has been hypothesized to drive
Christopher R Kirman et al.
Critical reviews in toxicology, 40 Suppl 1, 74-92 (2010-09-28)
1,3-Butadiene (BD) is a multisite carcinogen in laboratory rodents following lifetime exposure, with greater potency in the mouse than the rat, and is associated with an increase in leukemia mortality in highly exposed workers. Species differences in the formation of
M A Jackson et al.
Mutation research, 463(3), 181-213 (2000-10-06)
In this paper, the metabolism and genetic toxicity of 1,3-butadiene (BD) and its oxidative metabolites in humans and rodents is reviewed with attention to newer data that have been published since the latest evaluation of BD by the International Agency
Christopher R Kirman et al.
Critical reviews in toxicology, 40 Suppl 1, 1-11 (2010-09-28)
1,3-Butadiene (BD) is a multisite carcinogen in laboratory rodents following lifetime exposure, with mice demonstrating greater sensitivity than rats. In epidemiology studies of men in the styrene-butadiene rubber industry, leukemia mortality is associated with butadiene exposure, and this association is
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