1,3-Butadiene,homopolymer
Product Information
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
SMILES
C=CC=C
InChI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChI Key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
Melting Point
155 °C
Flash Point
-105 °F
Density
0.90 g/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 Weight | Viscosity |
|---|---|
| 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 |
