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| CAS No.: | 106-99-0 |
|---|---|
| Name: | 1,3-Butadiene |
| Article Data: | 1162 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H6 |
| Molecular Weight: | 54.0916 |
| Synonyms: | Biethylene;Bivinyl;Butadiene;Butadiene-1,3;Divinyl;Erythrene;Vinylethylene;a,g-Butadiene; |
| EINECS: | 203-450-8 |
| Density: | 0.638 g/cm3 |
| Melting Point: | -108.9 °C |
| Boiling Point: | -4.4 °C |
| Flash Point: | −105 °F |
| Solubility: | Soluble in alcohol, ether, acetone, benzene, ethylene dichloride, amyl acetate, furfural and acetic acid copper ammonia solution, insoluble in water |
| Appearance: | colourless gas |
| Hazard Symbols: |
 F+, T, F, N
|
| Risk Codes: | 45-46-12-67-65-63-48/20-36/38-11-62-51/53-38 |
| Safety: | 53-45-62-46-36/37-26-61-33-16 |
| Transport Information: | UN 1010 2.1 |
| PSA: | 0.00000 |
| LogP: | 1.35840 |
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| Conditions | Yield |
|---|---|
| With gadolinium(III) phosphate at 230℃; Flow reactor; Inert atmosphere; | 99% |
| With scandium aluminium oxide; hydrogen at 318℃; Temperature; Flow reactor; | 95.4% |
| With water; trimethylamine at 230℃; Leiten ueber einen aus Aluminium, SiO2 und W2O5 hergestellten Katalysator; |
| Conditions | Yield |
|---|---|
| With oxygen; Bi-Mo oxide (1/1) at 400℃; Rate constant; also without O2; | 99% |
| With oxygen Gas phase; | 99.4% |
| With oxygen Flow reactor; Inert atmosphere; | 99.4% |
| Conditions | Yield |
|---|---|
| In water at 500℃; Reagent/catalyst; Temperature; | A 61.4% B 24.8% |
| With scandium(III) oxide; hydrogen at 425℃; for 5h; Flow reactor; | |
| With lutetium(III) oxide; hydrogen at 425℃; for 5h; Flow reactor; |
| Conditions | Yield |
|---|---|
| With silica-alumina In hexane at 175 - 200℃; under 760.051 Torr; for 39h; Time; Inert atmosphere; | 96% |
| With 4-toluidinium hydrogen sulfate at 140 - 160℃; | |
| With trichloroacetic acid |
| Conditions | Yield |
|---|---|
| In water at 500℃; Reagent/catalyst; | A 12.6% B 17.6% C 45.4% |
| With scandium(III) oxide In water at 700℃; Reagent/catalyst; | A 9.7% B 22% C 20.3% |
| With Sc1.5Yb0.5O3; hydrogen at 411℃; for 5h; Flow reactor; |
| Conditions | Yield |
|---|---|
| With oxygen at 370℃; for 20h; | A 5.1% B 57.3% |
| With oxygen In water at 420℃; under 760.051 Torr; for 8h; Reagent/catalyst; Flow reactor; |
| Conditions | Yield |
|---|---|
| With hydrogen bromide; tetrabutyl phosphonium bromide at 200℃; for 0.25h; Menshutkin Reaction; Inert atmosphere; | 13% |
| With fired clay | |
| With aluminum oxide; phosphoric acid; sodium phosphate In water at 250 - 270℃; under 750.075 Torr; | 31.4 %Chromat. |
| Conditions | Yield |
|---|---|
| In water at 500℃; Reagent/catalyst; Temperature; | A 27.3% B 56% |
| With Al, La and Zr mixed oxide In water at 500℃; Reagent/catalyst; Temperature; Overall yield = 61.4 %; | |
| With lithium dihydrogenphosphate at 500℃; for 6h; Reagent/catalyst; Inert atmosphere; |
- 513-85-9
2.3-butanediol
A
- 598-32-3
2-hydroxy-3-butene
B
- 106-99-0
buta-1,3-diene
C
- 78-84-2
isobutyraldehyde
D
- 78-93-3
butanone
| Conditions | Yield |
|---|---|
| at 293 - 365℃; | A n/a B 21% C n/a D n/a |
| With silica-supported phosphorous at 180℃; Inert atmosphere; | |
| With alumina In water at 380℃; Reagent/catalyst; Inert atmosphere; Gas phase; | |
| With Cesium oxide- Silica composite at 400℃; for 6h; Inert atmosphere; | |
| With 1 Na phosphate on silica at 400℃; under 760.051 Torr; for 20h; Reagent/catalyst; Inert atmosphere; |
- 18826-95-4, 107-88-0
1.3-butanediol
- 106-99-0
buta-1,3-diene
| Conditions | Yield |
|---|---|
| With silica-alumina at 300℃; under 750.075 Torr; | 99.8% |
| In dichloromethane at 320℃; Reagent/catalyst; Temperature; | 72% |
| With hydrogen bromide; tetrabutyl phosphonium bromide at 200℃; for 0.25h; Menshutkin Reaction; Inert atmosphere; | 33% |
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- Total:23 Page 1 of 1 1
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History
In 1863, a French chemist isolated a previously unknown hydrocarbon from the pyrolysis of amyl alcohol. This hydrocarbon was identified as butadiene in 1886, after Henry Edward Armstrong isolated it from among the pyrolysis products of petroleum.
In 1910, the Russian chemist Sergei Lebedev polymerized butadiene(106-99-0), and obtained a material with rubber-like properties. This polymer was, however, too soft to replace natural rubber in many roles, especially automobile tires.
The butadiene(106-99-0) industry originated in the years leading up to World War II. Many of the belligerent nations realized that in the event of war, they could be cut off from rubber plantations controlled by the British Empire, and sought to remove their dependence on natural rubber. In 1929, Eduard Tschunker and Walter Bock, working for IG Farben in Germany, made a copolymer of styrene and butadiene(106-99-0) that could be used in automobile tires. Worldwide production quickly ensued, with butadiene being produced from grain alcohol in the Soviet Union and the United States and from coal-derived acetylene in Germany.
Consensus Reports
Reported in EPA TSCA Inventory. Community Right-To-Know List.
Standards and Recommendations
DOT Classification: 2.1; Label: Flammable Gas
OSHA PEL: TWA 1 ppm; STEL 5 ppm
ACGIH TLV: TWA 2 ppm; Suspected Human Carcinogen
DFG MAK: Confirmed Human Carcinogen
NIOSH REL: Reduce to lowest feasible level
Analytical Methods
For occupational chemical analysis use OSHA: #ID-56 or NIOSH: 1,3-Butadiene, 1024.
Specification
1,3-Butadiene is a colorless gas with an aromatic odor has an isomer 1,2-butadiene. They also can called butadiene. But most of the time this name refers to 1,3-butadiene. This chemical is easily liquefied, flammable and aggregate. 1,3-Butadiene is the important momer in the manufacture of synthetic rubber and synthetic resin.
Preparation: 1. From ethanol: Use ethanol as raw material, magnesium oxide and silica as main catalysts. Then add active additive at the 360 ~ 370 °C. Finally, after the catalytic dehydrogenation and dehydration, the 1,3-Butadiene is obtained.
2 CH3CH2OH → CH2=CH-CH=CH2 + 2 H2O + H2
2. Extraction from C4 hydrocarbons: The by-product C4 cut fraction can be obtained by ethylene splitting decomposition. Use solvent extraction to extract 1,3-butadiene. According to the different solvents, this method can be divided into acetonitrile extraction and N, N-dimethylformamide extraction.
3. 1,3-Butadiene also can be largely produced from oil gas that is obtained by the catalytic dehydrogenation from butene or butene-butane mixture. Besides, it can also be directly obtained by cracking naphtha and light oil.
Uses: In terms of synthetic rubber, 1,3-butadiene is used in the production of butadiene styrene rubber and butadiene rubber, ethylene-propylene rubber, nitrile rubber, neoprene, SBR, etc.; in synthetic resin, it is used in the production of ABS, BS, SBS, MBS, epoxidation polybutadiene resins, liquid butadiene oligomer, etc.; in organic chemical production, it is used to synthesize sulfolane, 1,4-butanediol, adiponitrile, synthetic anthraquinone, 1,4-hexadiene , cyclooctadiene, cyclododecatriene, etc. 1,3-Butadiene is also used as raw material to make plasticizers, curing agents and flame retardants and so on.
Safty: 1,3-Butadiene may cause cancer, heritable genetic damage, lung damage if swallowed and skin dryness or cracking. Moreover, it is irritating to eyes and skin and has danger of serious damage to health by prolonged exposure through inhalation. This chemical is also toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Damage to the central nervous system will start to occur at acute high exposure. If you want to contact this product, you must wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Structure Descriptors:
1.Smiles:C(C=C)=C
2.InChI:InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H2
Toxicity:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TCLo | inhalation | 2000ppm/7H (2000ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944. |
| human | TCLo | inhalation | 8000ppm (8000ppm) | SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: COUGH | Industrial Medicine. Vol. 17, Pg. 199, 1948. |
| mouse | LC50 | inhalation | 270gm/m3/2H (270000mg/m3) | Archives of Environmental Health. Vol. 18, Pg. 878, 1969. | |
| mouse | LD50 | oral | 3210mg/kg (3210mg/kg) | National Toxicology Program Technical Report Series. Vol. NTP-TR-288, Pg. 1984, | |
| rabbit | LCLo | inhalation | 25pph/23M (250000ppm) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: TREMOR BEHAVIORAL: MUSCLE WEAKNESS | Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944. |
| rat | LC50 | inhalation | 285gm/m3/4H (285000mg/m3) | BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Russian Pharmacology and Toxicology Vol. 31, Pg. 162, 1968. |
| rat | LD50 | oral | 5480mg/kg (5480mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 14, 1986. |