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| CAS No.: | 115-11-7 |
|---|---|
| Name: | ISOBUTYLENE |
| Article Data: | 1479 |
| Molecular Structure: | |
|
|
|
| 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: |
 F+
|
| Risk Codes: | 12 |
| Safety: | 9-16-33 |
| Transport Information: | UN 1055 2.1 |
| PSA: | 0.00000 |
| LogP: | 1.58240 |
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| Conditions | Yield |
|---|---|
| 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
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1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical
- 37421-16-2
2-(t-butylazo)prop-2-yl hydroperoxide
A
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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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| for 12h; Ambient temperature; | A 100% B n/a |
B
- 115-11-7
isobutene
| Conditions | Yield |
|---|---|
| In acetonitrile for 0.0833333h; Heating; | A 100% B n/a |
B
- 115-11-7
isobutene
| Conditions | Yield |
|---|---|
| In acetonitrile for 0.0833333h; Heating; | A 100% B n/a |
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In pentane at 25℃; for 0.5h; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| With 15-crown-5; cesium fluoride In 1,2-dimethoxyethane at -18 - 20℃; for 1h; | 100% |
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; | A 100% B n/a C 100% |
| Conditions | Yield |
|---|---|
| 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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- 2650-18-2Acid Blue 9
- 5460-09-32,7-Naphthalenedisulfonicacid, 4-amino-5-hydroxy-, sodium salt (1:1)
- 9011-18-1Dextran sulfate sodium
- 4419-92-5Diethylammonium salicylate
- 68514-28-3Potassium humate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:25 Page 1 of 1 1
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Standards and Recommendations
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. |