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695904

Sigma-Aldrich

1,3-Butadiene solution

15 wt. % in hexane

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:
329761784
NACRES:
NA.22

form

liquid

concentration

15 wt. % in hexane

refractive index

n20/D 1.376

density

0.682 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 as a monomer to synthesize polybutadiene with one hydroxy end group and other silyl hydroxy-protecting end group, a precursor for two-step synthesis of hydroxyl-terminated polybutadiene (HTPB).

Signal Word

Danger

Hazard Classifications

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

Target Organs

Central nervous system, 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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Specified Class I Designated Chemical Substances
Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

695904-250G:4548173295985
695904-VAR:
695904-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN1917
MKCM5562
MKCL8245
MKCG1268
MKCF2332

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Synthesis of hydroxyl-terminated polybutadiene bearing pendant carboxyl groups by combination of anionic polymerization and blue light photocatalytic thiol-ene reaction and its pH-triggered self-assemble behavior.
Zhang W, et al.
Reactive and Functional Polymers, 127, 161-167 (2018)
Xin Min et al.
Royal Society open science, 5(5), 180156-180156 (2018-06-13)
A novel alkyl lithium-based initiator with relatively large steric hindrance, tert-butyldimethylsiloxydimethylpropyl lithium (TBDMSODPrLi), was designed and synthesized. By using TBDMSODPrLi, hydroxyl-terminated polybutadiene (HTPB) was prepared via anionic polymerization. The macromolecular structure of HTPB was characterized and verified by FTIR and
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
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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2-Butene; 2-Methylbutane; 1,3-Butadiene; Propyne

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