Isobutylene supplier | CasNO.115-11-7

Name
ISOBUTYLENE
EINECS 204-066-3
CAS No. 115-11-7
Article Data1479
CAS DataBase
Density 0.627 g/cm³
Solubility insoluble in water
Melting Point - 140 °C
Formula C₄H₈
Boiling Point - 6.9 °C(lit.)
Molecular Weight 56.1075
Flash Point - 80 °C
Transport Information UN 1055 2.1
Appearance colorless flammable gas
Safety 9-16-33
Risk Codes 12
Molecular Structure
Hazard Symbols F+
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;
PSA 0.00000
LogP 1.58240

Synthetic route

: 75-65-0
tert-butyl alcohol

: 115-11-7
isobutene

Conditions

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

: 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

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%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

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

A

B

Conditions

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

Conditions

Conditions	Yield
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

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;

: 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

Conditions	Yield
In acetonitrile at 20℃;	A 100% B n/a C 100%

...Expand

: 1634-04-4
tert-butyl methyl ether

: 115-11-7
isobutene

Conditions

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;

: 128-38-1
4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl

A: 92-88-6
4,4'-Dihydroxybiphenyl

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With methanesulfonic acid In isopar-G (hydrocarbons C10-C11); toluene at 150℃; for 2h;	A 99% B n/a

: tris(1-pyrrolidinyl)(tert-butyl)phosphazide

A: tris(1-pyrrolidinyl)(amino)phosphonium tetrafluoroborate

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With tetrafluoroboric acid In methanol; water at -78 - 20℃; for 2h;	A 99% B n/a

: 72030-06-9
3-acetoxyacetonyl tert-butyl trithiocarbonate

A: 71988-79-9
4-(acetoxymethyl)-1,3-dithiole-2-thione

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In acetic acid; trifluoroacetic acid 1. warming, 30 min; 2. heating, 30 min;	A 98% B n/a

: 80372-21-0
2-Amino-4-benzylamino-4,6,6-trimethyl-cyclohex-2-ene-1,1,3-tricarbonitrile

A: 80372-33-4
3-Amino-4-[1-benzylamino-eth-(Z)-ylidene]-2-cyano-pent-2-enedinitrile

B: 115-11-7
isobutene

Conditions

Conditions	Yield
In xylene for 1h; Heating;	A 98% B n/a

: 17877-23-5
triisopropylsilanol

: 321887-70-1
(2-methylallyl )triisopropylsilane

A: hexaisopropyldisiloxane

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h;	A 98% B n/a

...Expand

: C11H24O2

A: 115-11-7
isobutene

B: 504-63-2
trimethyleneglycol

Conditions

Conditions	Yield
With A35 resin acid at 100℃; for 2h; Temperature; Reagent/catalyst;	A n/a B 98%

: 879-97-0
2,6-dimethyl-4-tert-butylphenol

A: 576-26-1
2.6-dimethylphenol

B: 115-11-7
isobutene

Conditions

Conditions	Yield
aluminum oxide; nickel(II) sulphate In various solvent(s) at 305℃; Product distribution; fixed, quartz powder bed tubular reactor; gaseous phase in N2 flow; varied: temperature 280 to 330 deg C; N2 flow; quartz powder/catalyst ratio; residence time; substrates other alkylated phenols too;	A 97.5% B n/a

: 107-01-7
butene-2

: 115-11-7
isobutene

Conditions

Conditions	Yield
at 450℃; under 1125.11 Torr; Reagent/catalyst; Pressure; Temperature; Inert atmosphere;	97.4%
at 200 - 380℃; Umlagerung in Gegenwart verschiedener Katalysatoren;

: 61777-16-0
2-methylallyllithium

A: 53721-69-0
1,3-dilithio-2-methylenepropane

B: 115-11-7
isobutene

Conditions

Conditions	Yield
at 135℃; for 24h; Yield given;	A n/a B 97%

: 17877-23-5
triisopropylsilanol

: 1351415-92-3
(2-methylallyl)-dimethylvinylsilane

A: 1351415-84-3
1,1-dimethyl-3,3,3-triisopropyl-1-vinyldisiloxane

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h;	A 97% B n/a

...Expand

: 87513-88-0
dibutylbis(2-methylallyl)germane

: C32H74O13Si8

A: di(n-butyl)germasilsesquioxane

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In toluene at 20℃; for 2h;	A 97% B n/a

...Expand

: 75-65-0
tert-butyl alcohol

A: 78-83-1
2-methyl-propan-1-ol

B: 7732-18-5
water

C: 115-11-7
isobutene

Conditions

Conditions	Yield
aluminum oxide at 315.546℃; under 11103.3 Torr;	A 1.4% B 1.1% C 96.4%

...Expand

: 78-83-1
2-methyl-propan-1-ol

: 115-11-7
isobutene

Conditions

Conditions	Yield
BASF AL3996 at 300℃; under 760.051 Torr; Product distribution / selectivity;	96%
With BASF A13996R at 325℃; Flow reactor;	95%
at 340℃; under 780.078 Torr; Catalytic behavior; Temperature; Pressure; Reagent/catalyst; Inert atmosphere;	94.35%

: 6731-23-3
triisobutylindium

A: 7440-74-6
indium

B: 115-11-7
isobutene

Conditions

Conditions	Yield
In decalin byproducts: isobutane; pyrolysis in decalin under dry and deoxygenated N2 (140°C, 24 h); GLC anal. of org. products;	A >99 B 96%

: di(2-methylallyl)diethylgermane

: C28H64O13Si8

A: C60H136GeO26Si16

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In toluene at 20℃; for 2h;	A 96% B n/a

...Expand

: 80372-13-0
1,3-Diamino-2,6,6-tricyan-3,5,5-trimethyl-cyclohex-1-en

A: 80372-25-4
2,4-Diamino-1,1,3-tricyan-penta-1,3-dien

B: 115-11-7
isobutene

Conditions

Conditions	Yield
In decalin for 1h; Heating;	A 95% B n/a

: 80372-17-4
2-Amino-4,6,6-trimethyl-4-methylamino-cyclohex-2-ene-1,1,3-tricarbonitrile

A: 80372-29-8
3-Amino-2-cyano-4-[1-methylamino-eth-(Z)-ylidene]-pent-2-enedinitrile

B: 115-11-7
isobutene

Conditions

Conditions	Yield
In xylene for 1h; Heating;	A 95% B n/a

: 15205-62-6
tri(tert-butyl)phosphite

: 79-10-7
acrylic acid

A: 13086-84-5
di-tert-butyl phosphite

B: 3-(di-tert-butoxyphosphoryl)propionic acid

C: 115-11-7
isobutene

Conditions

Conditions	Yield
In dichloromethane for 2h; Heating;	A 95% B n/a C n/a

...Expand

: 17477-97-3
1,1,1,5,5,5-hexamethyl-3-trimethylsiloxy-3-hydroxytrisiloxane

: 1351415-92-3
(2-methylallyl)-dimethylvinylsilane

A: 1351415-83-2
1,1,1,5,5-pentamethyl-5-vinyl-3,3-bis(trimethylsiloxy)-trisiloxane

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h;	A 95% B n/a

...Expand

: 17877-23-5
triisopropylsilanol

: 37611-52-2
2-methyl a l l y l t r i s-(trimethylsiloxy)silane

A: 1351415-86-5
1,1,1-trimethyl-5,5,5-triisopropyl-3,3-bis(trimethyl-siloxy)trisiloxane

B: 115-11-7
isobutene

Conditions

Conditions	Yield
With scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 1h;	A 95% B n/a

...Expand

: 95-65-8
3,4-Dimethylphenol

: 115-11-7
isobutene

: 1445-23-4
2-(1,1-dimethylethyl)-4,5-dimethylphenol

Conditions

Conditions	Yield
With sulfuric acid at 65℃; under 1034.3 Torr; for 3h;	100%
With sulfuric acid at 70℃;
sulfuric acid at 65℃; under 1520.1 Torr;
With sulfuric acid at 65 - 70℃; for 2h;	114.1 g

: 57224-63-2
methyl (2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxybutyrate

: 115-11-7
isobutene

: 52785-41-8
N-benzyloxycarbonyl-O-tert-butylthreonine methyl ester

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane at 0℃; for 48h;	100%
With sulfuric acid In dichloromethane for 72h; Ambient temperature;	75%
With sulfuric acid In dichloromethane

: 107-19-7
propargyl alcohol

: 115-11-7
isobutene

: 118616-26-5
1-Bromo-2-methyl-2-(2-propyn-1-yloxy)propane

Conditions

Conditions	Yield
With N-Bromosuccinimide at 0℃; for 1h;	100%
With N-Bromosuccinimide In dichloromethane 1.) -20 deg C, 2 h, 2.) r.t., 15 h;	80%

: 67-56-1
methanol

: 91491-61-1
pyridine-2-selenenyl bromide

: 115-11-7
isobutene

: 96818-34-7
2-(2-Methoxy-2-methyl-propylselanyl)-pyridine

Conditions

Conditions	Yield
at 25℃; for 2h;	100%

...Expand

: 29617-66-1
(S)-2-chloropropanoic acid

: 115-11-7
isobutene

: 101617-24-7
(S)-tert-butyl 2-chloropropanoate

Conditions

Conditions	Yield
With hydrogen cation	100%
With hydrogen cation	93%
With sulfuric acid In dichloromethane at 20℃; for 48h;	73%

: 10080-68-9
(E)-ethyl 4-hydroxybut-2-enoate

: 115-11-7
isobutene

: 124155-67-5
ethyl 4-tert-butoxycrotonate

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane for 36h; Ambient temperature;	100%

: 51591-38-9
O,O′-diacetyl L-tartaric acid

: 115-11-7
isobutene

: 117384-47-1
O,O′-diacetyl di-tert-butyl L-tartrate

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane at -15 - 20℃; for 72h;	100%

: 934-53-2
cumenyl chloride

: 115-11-7
isobutene

: 84803-23-6
(3-chloro-1,1,3-trimethylbutyl)benzene

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-pyridine; boron trichloride In various solvent(s) at -80℃; for 0.666667h;	100%
zinc chloride diethyl ether In dichloromethane at -78℃; for 4h;	71%

: 90830-69-6
(2R,3S)-2-Methoxymethoxy-3-((3S,8S,9S,10R,13S,14S,17R)-3-methoxymethoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-butyraldehyde

: 115-11-7
isobutene

: 131434-15-6
(4R,5R,6S)-5-Methoxymethoxy-6-((3S,8S,9S,10R,13S,14S,17R)-3-methoxymethoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-hept-1-en-4-ol

Conditions

Conditions	Yield
With tin(IV) chloride In dichloromethane at -78℃; for 5h;	100%

: 106544-20-1
2-oxo-3-(ethoxycarbonyl)-3,4-dihydro-β-carboline

: 115-11-7
isobutene

: 99708-07-3
2,2-dimethyl-5-(ethoxycarbonyl)-4,5,6,11b-tetrahydroisoxazolidino<2,3-a>-β-carboline

Conditions

Conditions	Yield
In toluene at 120℃; under 750.06 - 6750.5 Torr; for 4h;	100%

: 80399-40-2
(E)-4-Methyl-6-trimethylsilanyl-hex-4-enal

: 115-11-7
isobutene

: 80399-43-5
geranyltrimethylsilane

Conditions

Conditions	Yield
With Wittig	100%

: 58717-02-5
3-cyclohexyl-D-alanine

: 115-11-7
isobutene

: 193286-94-1
(R)-2-Amino-3-cyclohexyl-propionic acid tert-butyl ester

Conditions

Conditions	Yield
With sulfuric acid In 1,4-dioxane	100%

: 115-11-7
isobutene

polyisobutylene, Mn 5200, cationic polymerization: polyisobutylene, Mn 5200, cationic polymerization

Conditions

Conditions	Yield
With Acetyl bromide; MeCOBr*2AlBr3 In dichloromethane at -78℃; for 0.333333h; Polymerization;	100%

: 115-11-7
isobutene

polyisobutylene, Mn 41900, cationic polymerization: polyisobutylene, Mn 41900, cationic polymerization

Conditions

Conditions	Yield
With aluminum tri-bromide; 2,4,6-Me3C6H2COBr*2AlBr3; Mesitoyl bromide In hexane at -78℃; for 0.333333h; Polymerization;	100%

: 115-11-7
isobutene

polyisobutylene, Mn 132000, cationic polymerization: polyisobutylene, Mn 132000, cationic polymerization

Conditions

Conditions	Yield
With Acetyl bromide; MeCOBr*2AlBr3; 2,3-dibromo-5,6-dicyano-1,4-benzoquinone In hexane at -78℃; for 0.333333h; Polymerization;	100%

: 115-11-7
isobutene

: 64187-47-9
1-benzyloxycarbonyl-4-keto-L-proline

: 147489-27-8
(2S)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane for 12h; Cooling with ice;	100%
With sulfuric acid In dichloromethane at 20℃; for 16h;	80%
With sulfuric acid In dichloromethane at 20℃; for 16h;	80%

: 115-11-7
isobutene

polyisobutylene; monomer: isobutylene: polyisobutylene; monomer: isobutylene

Conditions

Conditions	Yield
With tetrachloromethane; triisobutylaluminum; titanium tetrachloride In toluene at 30℃; Polymerization;	100%

: 5876-92-6
2-hydroxyphenyl benzoate

: 115-11-7
isobutene

: 136864-81-8
2-tert-butoxyphenyl benzoate

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid In dichloromethane at -50 - -45℃; for 2.5h;	100%
With trifluorormethanesulfonic acid	70%

: 122213-92-7
7,7-diphenyl-6-heptenoic acid

: 115-11-7
isobutene

: 1038793-13-3
tert-butyl 7,7-diphenylhept-6-enoate

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane at 20℃;	100%

: 115-11-7
isobutene

polyisobutylene, Mw 285000, Mw/Mn 2.4; monomer(s): isobutylene: polyisobutylene, Mw 285000, Mw/Mn 2.4; monomer(s): isobutylene

Conditions

Conditions	Yield
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h;	100%

: 115-11-7
isobutene

polyisobutylene, Mw 195000, Mw/Mn 3.2; monomer(s): isobutylene: polyisobutylene, Mw 195000, Mw/Mn 3.2; monomer(s): isobutylene

Conditions

Conditions	Yield
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h;	100%

: 115-11-7
isobutene

polyisobutylene, Mw 132000, Mw/Mn 5.7; monomer(s): isobutylene: polyisobutylene, Mw 132000, Mw/Mn 5.7; monomer(s): isobutylene

Conditions

Conditions	Yield
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h;	100%

: 115-11-7
isobutene

polyisobutylene, Mw 140000, Mw/Mn 3.8; monomer(s): isobutylene: polyisobutylene, Mw 140000, Mw/Mn 3.8; monomer(s): isobutylene

Conditions

Conditions	Yield
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h;	100%

: 115-11-7
isobutene

polyisobutylene, Mw 257000, Mw/Mn 2.0; monomer(s): isobutylene: polyisobutylene, Mw 257000, Mw/Mn 2.0; monomer(s): isobutylene

Conditions

Conditions	Yield
With 1,2-C6F4(B(C(C6F5)2)2 In hexane at -78℃; for 1h;	100%

Isobutylene Consensus Reports

Reported in EPA TSCA Inventory.

Isobutylene Standards and Recommendations

DOT Classification: 2.1; Label: Flammable Gas

Isobutylene 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.

Product Name

ISOBUTYLENE

Synthetic route

Isobutylene Consensus Reports

Isobutylene Standards and Recommendations

Isobutylene Specification

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