1,3-Butadiene,homopolymer

Product Information

Molecular Formula:
C4 H6
Molecular Weight:
0
Description
Butadiene is a colorless gas with an aromatic odor. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air and a flame can flash back to the source of leak very easily. It can asphyxiate by the displacement of air. It must be shipped inhibited as butadiene is liable to polymerization. If polymerization occurs in the container, it may violently rupture. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used to make synthetic rubber and plastics, and to make other chemicals.
Synonyms
1,3-Butadiene,homopolymer; 1,3-butadiene,polymers; alfine; atacticbutadienepolymer; b11; b3000; b7; budiumrk622
IUPAC Name
buta-1,3-diene
Canonical SMILES
C=CC=C
InChI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChI Key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
Boiling Point
24.1 °F at 760 mmHg
Melting Point
-164 °F
Flash Point
-105 °F
Purity
95%
Density
0.636g/cm3
Solubility
Insoluble
Appearance
low molecular weight formulations are liquid,
Application
Used in the production of synthetic rubber for motor vehicle tires; also used in styrene-butadiene polymers, acrylonitrile-butadiene-styrene resins, and other compounds; In a study of Swedish refinery workers, The exposure to 1,3-butadiene among all exposure groups was low (95% of all samples were below 10 ug/m3) in relation to the Swedish OEL, of 1000 ug/m3.
Storage
Store at room temperature
Refractive Index
1.4292 at 25 °C
Stability
Stable under recommended storage conditions. Test for peroxide formation before using or discard after 3 months.
LogP
log Kow = 1.99
Vapor Pressure
1840 mmHg at 70 °F
Decomposition
May decompose explosively when heated above 200 °C/ 1 kbar. ... When heated to decomposition it emits acrid smoke and fumes.
Odor
MIldly aromatic odor

Safety Information

Hazards
Harmless-use normal precautions
Handling
Exercise normal care
Molecular WeightViscosity
Mw 1600 40.000±10.000 cps @ 45°C
Mw 3000 65.000 cps @ 45°C

Computed Properties

XLogP3
2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
54.0469501914 g/mol
Monoisotopic Mass
54.0469501914 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
4
Formal Charge
0
Complexity
21
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
KR-101636210-B1 Sesquineolignan, neolignan, and composition for anti-inflammation and neuron protection including the same 2015-06-17
US-2016101218-A1 Copolymer membrane for high-dose chemotherapy delivery during transarterial chemoemblization 2014-10-10
US-2016102202-A1 Flowable polyamides 2014-10-08
US-9181244-B1 Substituted pyrido[2,3-c]pyridazin-4(1H)-ones as tumor necrosis factor alpha and phosphodiesterase 4 inhibitors 2014-07-23
US-2015378268-A1 Triarylamine derivative and electrophotographic photosensitive member 2014-06-30
US-2015376271-A1 Dual pdgf/vegf antagonists 2014-06-28
WO-2015200905-A2 Dual pdgf/vegf antagonists 2014-06-28
WO-2015200425-A1 Topical dosage regimen 2014-06-27
US-2015376331-A1 Polymers, co-polymers, and monomers using co2 as a reagent 2014-06-26
WO-2015196258-A1 Enzyme interacting agents 2014-06-26

Literatures

PMID Publication Date Title Journal
34324853 2021-09-25 1,3-Butadiene, styrene and selected outcomes among synthetic rubber polymer workers: Updated exposure-response analyses Chemico-biological interactions
32237725 2020-07-20 Interindividual Differences in DNA Adduct Formation and Detoxification of 1,3-Butadiene-Derived Epoxide in Human HapMap Cell Lines Chemical research in toxicology
32529823 2020-07-20 Analysis of DNA Adducts and Mutagenic Potency and Specificity in Rats Exposed to Acrylonitrile Chemical research in toxicology
31422076 2019-10-01 1,3-Butadiene metabolite 1,2,3,4 diepoxybutane induces DNA adducts and micronuclei but not t(9;22) translocations in human cells Chemico-biological interactions
30990016 2019-05-20 Population-Based Analysis of DNA Damage and Epigenetic Effects of 1,3-Butadiene in the Mouse Chemical research in toxicology
30552462 2019-03-01 Sex-specific differences in genotoxic and epigenetic effects of 1,3-butadiene among mouse tissues Archives of toxicology
29038090 2017-10-16 Variation in DNA-Damage Responses to an Inhalational Carcinogen (1,3-Butadiene) in Relation to Strain-Specific Differences in Chromatin Accessibility and Gene Transcription Profiles in C57BL/6J and CAST/EiJ Mice Environmental health perspectives
26505805 2016-07-01 In Utero and Early-Life Exposure to Ambient Air Toxics and Childhood Brain Tumors: A Population-Based Case-Control Study in California, USA Environmental health perspectives
26002693 2015-11-05 1,3-Butadiene, CML and the t(9:22) translocation: A reality check Chemico-biological interactions
26070419 2015-11-05 A comprehensive review of occupational and general population cancer risk: 1,3-Butadiene exposure-response modeling for all leukemia, acute myelogenous leukemia, chronic lymphocytic leukemia, chronic myelogenous leukemia, myeloid neoplasm and lymphoid neoplasm Chemico-biological interactions
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2023 BOC Sciences. All rights reserved.