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Cas Database

Name	α-Butene	EINECS	203-449-2
CAS No.	106-98-9	Density	0.626 g/cm³
PSA	0.00000	LogP	1.58240
Solubility	Insoluble in water, slightly soluble in benzene, soluble in ethanol, ether	Melting Point	-185 °C(lit.)
Formula	C₄H₈	Boiling Point	- 6.3 °C(lit.)
Molecular Weight	56.1075	Flash Point	80 °C
Transport Information	UN 1012 2.1	Appearance	Colorless gas
Safety	9-16-33	Risk Codes	12
Molecular Structure		Hazard Symbols	F+, F
Synonyms	1-Butene;But-1-ene;Butene, all isomers;CCRIS 8970;UNII-LY001N554L;alpha-Butene;alpha-Butylene;	Article Data	1336

α-Butene Synthetic route

: 17486-13-4
(Z)-crotyltrimethylsilane

: 106-98-9
1-butylene

Conditions

Conditions	Yield
With tetrahydrofuran at 60℃; for 3h;	100%

: 18284-36-1, 27497-56-9
hydridotetakis(triphenylphosphine)rhodium(I)

: 702-04-5
crotyl phenyl sulfide

A: 106-98-9
1-butylene

B: 92922-07-1
{Rh(SC6H5)(P(C6H5)3)2}2

C: 107-01-7
butene-2

Conditions

Conditions	Yield
In toluene byproducts: P(C6H5)3; (N2); at room temp.; GLC yields of organic compounds;	A 80% B 100% C 15%

: 74-85-1
ethene

: 106-98-9
1-butylene

Conditions

Conditions	Yield
With tetrabutoxytitanium; butyl magnesium bromide; triethylaluminum In n-heptane at 25℃; under 6080 Torr;	99.4%
With tetrabutoxytitanium; butyl magnesium bromide; triethylaluminum In n-heptane at 25℃; under 6080 Torr; Product distribution; Kinetics; var. temp., var. time, var. reagents ratio;	99.4%
With triethylaluminum at 200 - 220℃;

: tris(cyclopentadienyl)thorium(IV) n-butyl

A: 106-98-9
1-butylene

B: 111-65-9
octane

C: 106-97-8
n-butane

Conditions

Conditions	Yield
In benzene-d6 Kinetics; thermolysis at 167 +/- 1°C;	A <1 B <1 C 98%

: {1,2-bis(dicyclohexylphosphino)ethane}(butane-1,4-diyl)palladium(II)

A: 106-98-9
1-butylene

B: 590-18-1
(Z)-2-Butene

C: 624-64-6
trans-2-Butene

D: 74-85-1
ethene

E: 106-97-8
n-butane

Conditions

Conditions	Yield
In toluene thermal decompn. at 95°C (70 h);	A 0.4% B 0.6% C 1.1% D 97.8% E 0.1%
In toluene thermal decompn. at 95°C (23 h);	A 8% B 20.9% C 46.3% D 20.2% E 4.6%

...Expand

: 74-85-1
ethene

A: 106-98-9
1-butylene

B: 187737-37-7
propene

Conditions

Conditions	Yield
With ReOx/Al2O3; Ni-AlKIT-6 at 60℃; under 22502.3 Torr; Inert atmosphere;	A 97.4% B n/a
With aluminosilicate B In water at 600℃; for 3.75h;	A 21.1% B 51.3%
With H-SSZ-13 zeolite consisting of chabazite cages connected via 8-ring windows at 399.84℃; under 375.038 Torr; for 0.25h; Catalytic behavior; Reagent/catalyst; Inert atmosphere;

: 100-48-1
pyridine-4-carbonitrile

: 109-52-4
valeric acid

A: 106-98-9
1-butylene

B: 72679-69-7
2-butyl-isonicotinonitrile

C: 7136-18-7
3-n-butyl-4-cyanopyridine

D: 74808-77-8
2,5-di-n-butyl-4-cyanopyridine

E: 74825-01-7
2,3-di-n-butyl-4-cyanopyridine

F: 72679-70-0
2,6-di-n-butyl-4-cyanopyridine

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; sulfuric acid; copper diacetate; silver nitrate In water at 57℃; for 3h; Product distribution; Rate constant; Mechanism; without cupric acetate, various temperatures and acidities, (NH4)2S2O8 for K2S2O8;	A n/a B 96.1% C 0.9% D 2% E 0.5% F 0.7%

...Expand

: 106-97-8
n-butane

: 106-98-9
1-butylene

Conditions

Conditions	Yield
With water; oxygen at 25 - 575℃; under 1800.18 - 9000.9 Torr;	95%
With water; hydrogen; oxygen	95.9%
35% iron on alumina at 690℃; for 3h; Product distribution / selectivity;
With ZSM-5 zeolite at 550℃; under 1125.11 Torr; for 3h; Gas phase;
With propene at 200℃; under 4560.31 Torr; Catalytic behavior; Reagent/catalyst;

: 18284-36-1, 27497-56-9
hydridotetakis(triphenylphosphine)rhodium(I)

: 701-75-7
3-(phenylthio)but-1-ene

A: 106-98-9
1-butylene

B: 92922-07-1
{Rh(SC6H5)(P(C6H5)3)2}2

C: 107-01-7
butene-2

Conditions

Conditions	Yield
In toluene byproducts: P(C6H5)3; (N2); at room temp.; GLC yields of organic compounds;	A 4% B 95% C 78%

: 190260-52-7
(4R)-4-ethyl-2-phenyl-4,5-dihydro-1λ6,3-thiazole 1,1-dioxide

A: 106-98-9
1-butylene

B: 100-47-0
benzonitrile

Conditions

Conditions	Yield
at 600℃; under 0.001 Torr;	A 78% B 94%

α-Butene Specification

The α-Butene with CAS registry number of 106-98-9 is also known as 1-Butene. The IUPAC name is But-1-ene. It belongs to product categories of Gas Cylinders; Hydrocarbons (Low Boiling point); Synthetic Organic Chemistry; Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents. Its EINECS registry number is 203-449-2. In addition, the formula is C₄H₈ and the molecular weight is 56.11. This chemical is a colorless gas that insoluble in water and has an extremely low flash point or boiling point. Besides, the gases catch fire in contact with air. What's more, it is one important basic chemical raw material that should be sealed in ventilated, cool room away from oxidants.

Physical properties about α-Butene are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.337; (4)ACD/LogD (pH 7.4): 2.337; (5)ACD/BCF (pH 5.5): 35.149; (6)ACD/BCF (pH 7.4): 35.149; (7)ACD/KOC (pH 5.5): 444.817; (8)ACD/KOC (pH 7.4): 444.817; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.371; (11)Molar Refractivity: 20.306 cm³; (12)Molar Volume: 89.656 cm³; (13)Surface Tension: 16.354 dyne/cm; (14)Density: 0.626 g/cm³; (15)Enthalpy of Vaporization: 22.07 kJ/mol; (16)Vapour Pressure: 2213.905 mmHg at 25 °C.

Preparation of α-Butene: it is separated from the C₄ fractionis. It also can be prepared by reaction of trimethylsilyl-cis-2-buten. The reaction needs reagent THF at the temperature of 60 °C for 3 hours. The yield is about 100%.

$α-Butene is separated from the c4 fractionis.$

Uses of α-Butene: it is used to produce 2,2,4-trichloro-1,1,1-trifluoro-hexane by reaction with 1,1,1-trichloro-2,2,2-trifluoro-ethane. The reaction occurs with reagents CuCl, CuCl₂*H₂O, ethanolamine and solvent 2-methyl-propan-2-ol at the temperature of 85 °C for 15 hours. The yield is about 62%.

α-Butene is used to produce 2,2,4-trichloro-1,1,1-trifluoro-hexane by reaction with 1,1,1-trichloro-2,2,2-trifluoro-ethane.

When you are using this chemical, please be cautious about it. As a chemical, it is extremely flammable. During using it, keep away from sources of ignition and take precautionary measures against static discharges. Furthermore, keep container in a well-ventilated place.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCC=C
2. InChI: InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
3. InChIKey: VXNZUUAINFGPBY-UHFFFAOYSA-N

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