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115-11-7

Basic Information
CAS No.: 115-11-7
Name: ISOBUTYLENE
Article Data: 1479
Molecular Structure:
Molecular Structure of 115-11-7 (ISOBUTYLENE)
Formula: C4H8
Molecular Weight: 56.1075
Synonyms: Propene,2-methyl- (8CI);1,1-Dimethylethene;1,1-Dimethylethylene;2-Methyl-1-propene;2-Methyl-2-propene;2-Methylpropene;2-Methylpropylene;Isobutene;Isopropylidenemethylene;i-Butene;iso-Butene;2-Methyl-1-propen;Isobutylene;
EINECS: 204-066-3
Density: 0.627 g/cm3
Melting Point: - 140 °C
Boiling Point: - 6.9 °C(lit.)
Flash Point: - 80 °C
Solubility: insoluble in water
Appearance: colorless flammable gas
Hazard Symbols: HighlyF+
Risk Codes: 12
Safety: 9-16-33
Transport Information: UN 1055 2.1
PSA: 0.00000
LogP: 1.58240
Synthetic route
75-65-0

tert-butyl alcohol

115-11-7

isobutene

Conditions
ConditionsYield
With air oxidized carbon nanotubes at 120℃; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Inert atmosphere; chemoselective reaction;100%
With aminosulfonic acid In acetic anhydride at 80℃; for 0.5h; Dehydration;98%
niobium silicate at 250℃;98.9%
110-82-7

cyclohexane

80037-90-7

1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

37421-16-2

2-(t-butylazo)prop-2-yl hydroperoxide

A

89482-40-6

2-cyclohexyloxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

B

93524-81-3

2-tert-butoxy-1,1,3,3-tetramethylisoindoline

C

67-64-1

acetone

D

115-11-7

isobutene

Conditions
ConditionsYield
at 70℃; for 17h; Mechanism; Rate constant; Thermodynamic data; var. of nitroxide, solvent, temp., EA, ΔH(excit.), ΔS(excit.);A 96%
B 82%
C 100%
D 15%
71988-81-3

4-(bromomethylene)-2-(tert-butylthio)-1,3-dithiolylium bromide

A

71988-82-4

4-(bromomethylene)-1,3-dithiolane-2-thione

B

115-11-7

isobutene

Conditions
ConditionsYield
for 12h; Ambient temperature;A 100%
B n/a

2-(Di-tert-butylamino)-1,3-di-tert-butyl-2,4,4-dimethyl-1,3,2,4-diazaphosphasiletidinium-iodid

A

2-(tert-Butylamino)-1,3-di-tert-butyl-2,4,4-trimethyl-1,3,2,4-diazaphosphasiletidinium-iodid

B

115-11-7

isobutene

Conditions
ConditionsYield
In acetonitrile for 0.0833333h; Heating;A 100%
B n/a

2--1,3-di-tert-butyl-2,4,4-dimethyl-1,3,2,4-diazaphosphasiletidinium-iodid

A

2-(Trimethylsilylamino)-1,3-di-tert-butyl-2,4,4-trimethyl-1,3,2,4-diazaphosphasiletidinium-iodid

B

115-11-7

isobutene

Conditions
ConditionsYield
In acetonitrile for 0.0833333h; Heating;A 100%
B n/a

A

B

Conditions
ConditionsYield
With diisobutylaluminium hydride In pentane at 25℃; for 0.5h;A n/a
B 100%

Conditions
ConditionsYield
With 15-crown-5; cesium fluoride In 1,2-dimethoxyethane at -18 - 20℃; for 1h;100%

A

1-Methyl-2-cyclopenten-1-ol

1-Methyl-2-cyclopenten-1-ol

B

115-11-7

isobutene

Conditions
ConditionsYield
With Hoveyda-Grubbs catalyst second generation at 20℃; for 0.75h; Neat (no solvent); Inert atmosphere;A 100%
B n/a
With C35H46Cl2N2ORu In benzene-d6 at 60℃; Catalytic behavior; Reagent/catalyst; Sealed tube;
507-19-7

t-butyl bromide

13716-12-6

tri-tert-butyl phosphine

4,8,12-trioxatriangulenium tetrakis[3,5-bis(trifluoromethyl)phenyl]-borate

A

C19H9BrO3

B

115-11-7

isobutene

C

C32H12BF24(1-)*C12H27P*H(1+)

Conditions
ConditionsYield
In acetonitrile at 20℃;A 100%
B n/a
C 100%
1634-04-4

tert-butyl methyl ether

115-11-7

isobutene

Conditions
ConditionsYield
at 220℃; under 1200.12 Torr;99.95%
98.4%
shaped catalyst (68percent SiO2, 21percent Al2O3, 11percent MgO, 0.11percent Na2O) at 164 - 250℃; under 5250.53 Torr; for 4000h; Conversion of starting material;
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  • Casno:

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  • ISOBUTYLENE 115-11-7

  • Casno:

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  2.1; Label: Flammable Gas

Specification

The Isobutene, with the CAS registry number 115-11-7 and EINECS registry number 204-066-3, has the systematic name and IUPAC name of 2-methylprop-1-ene. It is a kind of colorless gas at standard temperature and pressure, and belongs to the following product categories: Gas Cylinders; Hydrocarbons (Low Boiling point); Synthetic Organic Chemistry. And the molecular formula of this chemical is C4H8.You should be cautious while dealing with Isobutylene. It is a kind of extremely flammable chemicalirritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges.
 
The physical properties of Isobutene are as followings:
(1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.246; (4)ACD/LogD (pH 7.4): 2.246; (5)ACD/BCF (pH 5.5): 29.979; (6)ACD/BCF (pH 7.4): 29.979; (7)ACD/KOC (pH 5.5): 396.941; (8)ACD/KOC (pH 7.4): 396.941; (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: 1.368; (14)Molar Refractivity: 20.148 cm3; (15)Molar Volume: 89.457 cm3; (16)Polarizability: 7.987×10-24cm3; (17)Surface Tension: 15.147 dyne/cm; (18)Density: 0.627 g/cm3; (19)Enthalpy of Vaporization: 23.496 kJ/mol; (20)Boiling Point: °C at 760 mmHg; (21)Vapour Pressure: 2143.214 mmHg at 25°C.

Preparation of Isobutene:
 It can be isolated from refinery streams by reaction with sulfuric acid. But in industial, it is commonly produced by catalytic dehydrogenation of isobutane.

Uses of Isobutene:
It is usually used as an intermediate in the production of a variety of products, such as gasoline oxygenates methyl tert-butyl ether (MTBE) and ethyl tert-butyl ether (ETBE), fuel additive isooctane, methacrolein, butyl rubber, and antioxidants butylated hydroxytoluene (BHT) and butylated hydroxyanisole (BHA). 
 
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)C
(2)InChI: InChI=1/C4H8/c1-4(2)3/h1H2,2-3H3
(3)InChIKey: VQTUBCCKSQIDNK-UHFFFAOYAW

The toxicity data of Isobutylene is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 415gm/m3/2H (415000mg/m3)   Farmakologiya i Toksikologiya Vol. 30, Pg. 102, 1967.
rat LC50 inhalation 620gm/m3/4H (620000mg/m3)   Farmakologiya i Toksikologiya Vol. 30, Pg. 102, 1967.