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Isobutane

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Name

Isobutane

EINECS 200-857-2
CAS No. 75-28-5 Density 0.612 g/cm3
PSA 0.00000 LogP 1.66230
Solubility N/A Melting Point -160 °C(lit.)
Formula C4H10 Boiling Point −12 °C(lit.)
Molecular Weight 58.1234 Flash Point -83 °C
Transport Information UN 1969 Appearance a kind of air with no odour and no color
Safety 9-16 Risk Codes 12
Molecular Structure Molecular Structure of 75-28-5 (Isobutane) Hazard Symbols HighlyF+
Synonyms

1,1-Dimethylethane;A 31 (hydrocarbon);Isobutane;Purifrigor Iso 2;Purifrigor Iso 2.5;Purifrigor Iso 3;Purifrigor Iso 3.5;R 600a;Trimethylmethane;iso-Butane;

Article Data 689

Isobutane Synthetic route

tripotassiumdecaisobutylpentaaluminum

deuterium cation

A

75-28-5

Isobutane

B

potassium ion

C

16873-17-9

deuterium

D

Al(OH)2(1+)

Conditions
ConditionsYield
With water In water byproducts: H2, HD; acid hydrolysis with 20% DCl (84%); quantities of the products determined;A n/a
B 100%
C n/a
D n/a

tripotassiumdecaisobutylpentaaluminum

hydrogen cation

A

75-28-5

Isobutane

B

potassium ion

C

1333-74-0

hydrogen

D

Al(OH)2(1+)

Conditions
ConditionsYield
With water In water acid hydrolysis with 20% HCl; quantities of the products determined;A n/a
B 100%
C n/a
D n/a
75-65-0

tert-butyl alcohol

A

75-28-5

Isobutane

B

464-06-2

triptane

Conditions
ConditionsYield
With triisopropylborane; trifluorormethanesulfonic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane 1.) -30 deg C, 30 min 2.) room temp., 6 h;A 99.9%
B 0.1%
3282-30-2

pivaloyl chloride

75-28-5

Isobutane

Conditions
ConditionsYield
With tris-(trimethylsilyl)silane; 2,2'-azobis(isobutyronitrile) In toluene at 80℃; for 0.5h;98%
97-94-9

triethyl borane

75-65-0

tert-butyl alcohol

A

75-28-5

Isobutane

B

75-83-2

2,2-Dimethylbutane

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane 1.) -30 deg C 2.) room temp.;A 92.5%
B 7.5%

vanadocene

507-19-7

t-butyl bromide

A

vanadocene monobromide

B

75-28-5

Isobutane

C

1333-74-0

hydrogen

D

115-11-7

isobutene

Conditions
ConditionsYield
In hexane room temp.; further products:t-butylcyclopentadiene, tetramethylbutane, 2-methyl-4,4-dimethyl-1-pentene; GCL;A 92%
B n/a
C n/a
D n/a

A

75-28-5

Isobutane

B

106-97-8

n-butane

Conditions
ConditionsYield
With aluminium trichloride; polyethoxysilane (silicone GKZh-94) In nitromethane Product distribution;A 6%
B 91%
463-82-1

2,2-dimethylpropane

A

34557-54-5

methane

B

74-84-0

ethane

C

74-98-6

propane

D

75-28-5

Isobutane

E

78-78-4

methylbutane

Conditions
ConditionsYield
With hydrogen; platinum at 243℃; Product distribution; further reaction temperatures, catalysts;A 2.7%
B 1.5%
C 1.5%
D 6.7%
E 87.8%
at 304℃; Product distribution; also from n-butane, other products,other temperatures, other catalysts;A 7%
B 1.7%
C 2.4%
D 15.6%
E 73.3%
With hydrogen; NaY-500; palladium at 216℃; Product distribution; Kinetics; Thermodynamic data; other catalysts, other temperatures; activation energies;
With hydrogen In neat (no solvent) at 275℃; under 1225.5 Torr; Reagent/catalyst; Inert atmosphere;
3531-43-9

tetraisobutyl stannane

A

74-98-6

propane

B

75-28-5

Isobutane

C

115-11-7

isobutene

D

106-97-8

n-butane

Conditions
ConditionsYield
With hydrogen byproducts: C5 hydrocarbons, paraffin; 20 h, 300-310°C, 100 atm;A 1.6%
B 85.7%
C 2.5%
D 3.1%
With H2 byproducts: C5 hydrocarbons, paraffin; 20 h, 300-310°C, 100 atm;A 1.6%
B 85.7%
C 2.5%
D 3.1%
78709-76-9

{bis(triphenylphosphine)nitrogen}{HW(CO)5}

507-19-7

t-butyl bromide

A

15131-04-1

bromopentacarbonyl tungstate(0)(1-)

B

75-28-5

Isobutane

Conditions
ConditionsYield
In tetrahydrofuran Kinetics; 26.0°C, 20-fold excess of alkyl halide; second-order rate const. is given; anal. of the reaction mixt. by gas chromy.;A n/a
B 81%

Isobutane Production

.

Isobutane Consensus Reports

Reported in EPA TSCA Inventory.

Isobutane Standards and Recommendations

DFG MAK: 1000 ppm (2400 mg/m3)
DOT Classification:  2.1; Label: Flammable Gas

Isobutane Specification

The Isobutane , with the register number75-28-5, has other names as 1,1-Dimethylethane;2-Methylpropan ; 2-methyl-propan ; a31(hydrocarbon) ; i-Butane ; Isobutan ; Isobutane mixtures ; isobutane(dot) .

The physical properties of this chemcial are as followings: (1)ACD/LogP:  2.70  ; (2)ACD/LogD (pH 5.5):  2.7  ; (3)ACD/LogD (pH 7.4):  2.7  ; (4)ACD/BCF (pH 5.5):  66.02  ; (5)ACD/BCF (pH 7.4):  66.02  ; (6)ACD/KOC (pH 5.5):  698.43  ; (7)ACD/KOC (pH 7.4):  698.43  ; (8)Index of Refraction:  1.352  ; (9)Molar Refractivity:  20.53 cm3  ; (10)Molar Volume:  94.9 cm3  ; (11)Polarizability:  8.14 ×10-24 cm ; (12)Surface Tension:  15.5 dyne/cm  ; (13)Density:  0.612 g/cm3  ; (14)Enthalpy of Vaporization:  21.3 kJ/mol  ; (15)Vapour Pressure:  2580 mmHg at 25°C.

This is a kind of air with no odour and no color but is flammable and combustible. This is stable. And this is widely used in many ways. It could be used as the aerosol and the aerating agent. Besides, it could also be applied in Standard gas for the Petrochemical Corporation analysis and detecting instrument. What's more, it can be used in making the isooctane, and being the improver & refrigerant for the gasoline octane number.

Its product categories are including refrigerants;Organics;Refrigerant;Gas Cylinders;Hydrocarbons (Low Boiling point);Synthetic Organic Chemistry. Besides, its raw materials are in the following: Liquefied petroleum ges, C4 Fraction while its preparation products are the below: Propylene oxide, ISOBUTYLENE, Methacrylic acid, (1R-cis)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane carboxylic acid, N-BUTANE, 1-BUTENE, 1R-cis crysanthemic acid, ETHOPERMETHRIN,95%, 2,2,4-Trimethylpentane, etc.

Being a kind of extremely flammable chemical, it has an extremely low flash point and boiling point, and gases that catch fire in contact with air. So while dealing with it, you should be very cautious.
Keep container in a well-ventilated place and keep away from sources of ignition - No smoking

Additionally, you could convert the following data information into the molecular structure:
SMILES:CC(C)C
InChI:InChI=1/C4H10/c1-4(2)3/h4H,1-3H3
InChIKey:NNPPMTNAJDCUHE-UHFFFAOYAY

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 1041gm/m3/2H (1041000mg/m3) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936.
rat LC50 inhalation 57pph/15M (570000ppm) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Human Toxicology. Vol. 1, Pg. 239, 1982.
 

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