CAS No.590-19-2,1,2-Butadiene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	590-19-2
Name:	1,2-Butadiene
Article Data:	92

Formula:	C₄H₆
Molecular Weight:	54.0916
Synonyms:	1-Methylallene;Allene, methyl-;Butadiene-1,2;Methylallene;
EINECS:	209-674-2
Density:	0.612 g/cm³
Melting Point:	-136.2oC
Boiling Point:	10.7 °C at 760 mmHg
Solubility:	Soluble in ethanol, ether and benzene, insoluble in water
Appearance:	colorless gas
Hazard Symbols:	F+
Risk Codes:	12
Safety:	16-23-24/25
Transport Information:	UN 2037 2.1
PSA:	0.00000
LogP:	1.34740

Synthetic route

: 41998-65-6
3-methylpent-4-yn-2-ol

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 660℃; under 0.001 Torr;	98%

: 3100-04-7
Methylcyclopropen

A: 503-17-3
dimethylacetylene

B: 590-19-2
2,3-dimethylbutene

C: 106-99-0
buta-1,3-diene

Conditions

Conditions	Yield
With sulphur hexafluoride at 230.2℃; under 20.5 Torr; for 1.5h; Product distribution; Rate constant; Kinetics; var. time, var. pressure;	A 91.31% B 1.84% C 6.85%
Product distribution; Quantum yield; Irradiation;
In gas under 0.1 - 6 Torr; Mechanism; Product distribution; Irradiation;

...Expand

: 21020-24-6
3-chloro-but-1-yne

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
	61%

: 624-65-7
2-propynyl chloride

: dimethyldiazene

A: 107-00-6
but-1-yne

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 20℃; under 50 Torr; Kinetics; radical cross-combination reaction; Photolysis;	A 60% B 40%

...Expand

: 689-97-4
3-buten-1-yne

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With iron at 23 - 110℃; under 29420.3 Torr; Hydrogenation.in Gegenwart eines Polymerisationsinhibitors;

: 107-00-6
but-1-yne

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With cefaloridine at 280℃;
Cs-exchanged H(x)Cs30Na19(AlO2)54(SiO2)138 zeolite Ambient temperature;

: 107-00-6
but-1-yne

A: 590-19-2
2,3-dimethylbutene

B: 106-99-0
buta-1,3-diene

Conditions

Conditions	Yield
at 275℃; Leiten ueber Floridin;

: 503-17-3
dimethylacetylene

: 50-59-9
cefaloridine

A: 107-00-6
but-1-yne

B: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
at 280℃;

...Expand

: 503-17-3
dimethylacetylene

: 590-19-2
2,3-dimethylbutene

Conditions

Conditions	Yield
With cefaloridine at 280℃;

: 513-35-9
2-methyl-but-2-ene

A: 187737-37-7
propene

B: 74-85-1
ethene

C: 590-19-2
2,3-dimethylbutene

D: 78-79-5
isoprene

Conditions

Conditions	Yield
at 750℃; under 15 Torr;

...Expand

Raw Materials

92-52-4

126-73-8

624-73-7

87-68-3

106-97-8

21020-24-6

106-99-0

120-80-9

Downstream Products

20629-39-4

6622-76-0

3405-32-1

689-97-4

109-06-8

463-49-0

497-06-3

503-17-3

Total:43 Page 1 of 2 1 2 Next>>

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Specification

1,2-Butadiene is a colourless flammable gas at room temperature and atmospheric pressure with the formula C₄H₆. The IUPAC name of this chemical is buta-1,2-diene. It is soluble in ethanol, ether and benzene, insoluble in water.

Preparation: 1,2-Butadiene can be obtained by many methods. It can be extracted from a mixed butadiene stream using a distillation process. It also can be obtained by 3-methyl-pent-4-yn-2-ol. This reaction reacts at temperature of 66 °C and pressure of 0.001. The yield is 98%.

1,2-Butadiene can be obtained by 3-methyl-pent-4-yn-2-ol

Uses: 1,2-Butadiene is mainly used as feedstock in the manufacturing of synthetic elastomers. It probably has some anesthetic activity and can act as a simple asphyxiant. Moreover, it is also used in organic synthesis. For example: it can react with hexamethyl-disilane to get 2,3-bis-trimethylsilanyl-but-1-ene. This reaction needs reagent but-2-ene and catalytic agent Pd(PPh₃)₄ at temperature of 120 °C. The reaction time is 15 hours. The yield is 73%.

1,2-Butadiene can react with hexamethyl-disilane to get 2,3-bis-trimethylsilanyl-but-1-ene

Safty: 1,2-Butadiene is extremely flammable, so peole should keep it away from sources of ignition. As it is a chemical, people must not breathe vapour and avoid contact with skin and eyes. The product must be stored in air bottle in a cool place.

Other properties: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.6; (6)ACD/BCF (pH 7.4): 18.6; (7)ACD/KOC (pH 5.5): 282.07; (8)ACD/KOC (pH 7.4): 282.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.376; (14)Molar Refractivity: 20.28 cm³; (15)Molar Volume: 88.3 cm³; (16)Polarizability: 8.04×10^-24 cm³; (17)Surface Tension: 6 dyne/cm; (18)Density: 0.612 g/cm³; (19)Flash Point: °C; (20)Enthalpy of Vaporization: 24.02 kJ/mol; (21)Boiling Point: 10.7 °C at 760 mmHg; (22)Vapour Pressure: 1260 mmHg at 25°C.

Structure Descriptors:
1. Smiles:C(=C=C)C
2. InChI:InChI=1/C4H6/c1-3-4-2/h4H,1H2,2H3