Isobutylene oxide supplier

Name
Isobutylene oxide
EINECS 209-193-8
CAS No. 558-30-5
Article Data75
CAS DataBase
Density 0.871 g/cm³
Solubility 58 g/L (20 °C) in water
Melting Point
Formula C₄H₈O
Boiling Point 52 °C at 760 mmHg
Molecular Weight 72.1069
Flash Point 33 °F
Transport Information UN 1993
Appearance clear colorless liquid
Safety 16-26-36-36/37/39
Risk Codes 11-36/37/38-20/21/22
Molecular Structure
Hazard Symbols F,Xi,Xn
Synonyms Ethyleneoxide, a,a-dimethyl- (3CI);Propane, 1,2-epoxy-2-methyl-(6CI,8CI);1,1-Dimethylethylene oxide;1,2-Epoxy-2-methylpropane;1,2-Epoxyisobutane;1,2-Isobutylene oxide;2,2-Dimethyloxirane;2-Methyl-1,2-epoxypropane;2-Methyl-1-propene oxide;2-Methyl-1-propenoxide;2-Methylpropylene oxide;Isobutene oxide;Isobutylene epoxide;Isobutylene oxide;NSC 24249;
PSA 12.53000
LogP 0.79520

Synthetic route

: 115-11-7
isobutene

: 558-30-5
2-methyl-1,2-epoxypropane

Conditions

Conditions	Yield
With methyltrifluoromethyldioxirane In various solvent(s) for 0.0333333h; other reagent: dimethyldioxirane;	99%
With tert.-butylhydroperoxide; molybdenum(V) chloride In 1,2-dimethoxyethane at 120℃; under 3750.38 Torr; for 4h; Reagent/catalyst; Temperature; Solvent; Pressure; Inert atmosphere;	90%
With DL-dithiothreitol; 1-phenylethyl hydroperoxide; C18H29Cl3NS3Y; molybdenum stearate In ethylbenzene at 150℃; under 37503.8 Torr; for 3.5h; Inert atmosphere;	89.6%

: 558-42-9
3-chloro-2-methylpropan-2-ol

: 558-30-5
2-methyl-1,2-epoxypropane

Conditions

Conditions	Yield
With potassium hydroxide at -15℃; under 500 Torr; for 5h; Epoxidation; Cyclization;	92%
With potassium hydroxide
With sodium hydroxide; water

: (C4H9)3SnOC(CH3)2CH2Br

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 1461-23-0
tributyltin bromide

Conditions

Conditions	Yield
decompn. at 70°C (0.5 h);	A 89% B n/a

: 35952-62-6
(C4H9)3SnOC(CH3)2CH2Cl

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 1461-22-9
tributyltin chloride

Conditions

Conditions	Yield
decompn. at 210°C (1 h);	A 85% B n/a

: 1262887-07-9
5-ethyl-2,2-dimethyl-4,6-dioxa-1-aza-bicyclo[3.1.0]hexane

: 536-74-3
phenylacetylene

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 4211-90-9
3-ethyl-5-phenylisoxazole

Conditions

Conditions	Yield
In toluene for 0.166667h; Reflux; regioselective reaction;	A n/a B 85%

...Expand

: 536-74-3
phenylacetylene

: 62539-46-2
2,4,4-trimethyloxazoline 2,3-oxide

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 1008-75-9
3-methyl-5-phenylisoxazole

Conditions

Conditions	Yield
In toluene for 0.166667h; Reflux; regioselective reaction;	A n/a B 85%

...Expand

: 106828-39-1
bis(triphenylphosphine)-t-butoxy(methyl)nickel

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 513-35-9
2-methyl-but-2-ene

C: 34557-54-5
methane

D: 115-11-7
isobutene

Conditions

Conditions	Yield
In toluene at 50℃; for 12h; Further byproducts given;	A 45% B 16% C 81% D 21%
In toluene at 50℃; for 12h; Further byproducts given;	A 45 % Chromat. B 16 % Chromat. C 81 % Chromat. D 21 % Chromat.

...Expand

: 434933-60-5
exo-2-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-1-yl)propan-2-ol

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 85-01-8
phenanthrene

C: 29526-99-6
1-methylcyclopropanol

D: 78-93-3
butanone

Conditions

Conditions	Yield
With Methylenedioxybenzene In benzene-d6 at 20℃; Product distribution; Photolysis;	A 3% B n/a C 28% D 69%

...Expand

: 91811-93-7
bis(triphenylphosphine)dimethylnickel

: 67-63-0
isopropyl alcohol

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 67-64-1
acetone

Conditions

Conditions	Yield
	A 2% B 68%

...Expand

: 91547-45-4
cis-bis(acetonitrile)chloronitropalladium(II)

: 115-11-7
isobutene

A: 558-30-5
2-methyl-1,2-epoxypropane

B: (2-methylallyl)palladium-chloride dimer

Conditions

Conditions	Yield
With oxygen In chloroform-d1 CDCl3, 25°C, 24 h, air;; not sepd., detected by NMR spectra;;	A 16% B n/a

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 67-64-1
acetone

: 558-30-5
2-methyl-1,2-epoxypropane

Conditions

Conditions	Yield
With 1,1,1-trichloroethanol at 0℃;
With water at 0℃;
With ethanol at 0℃;
With lithium chloride at 0℃;
With formamide at 0℃;

: 558-38-3
2-chloro-2-methyl-1-propanol

: 558-30-5
2-methyl-1,2-epoxypropane

Conditions

Conditions	Yield
With potassium hydroxide

: 110-05-4
di-tert-butyl peroxide

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 67-64-1
acetone

C: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
at 17℃; Photolysis;

...Expand

: 110-05-4
di-tert-butyl peroxide

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 34557-54-5
methane

C: 67-64-1
acetone

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
at 110℃; Produkt5:Aethan;

...Expand

: 110-05-4
di-tert-butyl peroxide

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 74-84-0
ethane

C: 67-64-1
acetone

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
at 25 - 79℃; Produkt5-7:Kohlenmonoxid,tert-Butyl-methyl-aether,Methan.Photolysis;

...Expand

: 2465-56-7
methylene

: 67-64-1
acetone

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 13372-34-4
2,2,4,4-tetramethyl-[1,3]dioxolane

C: 116-11-0
2-Methoxypropene

D: 78-93-3
butanone

...Expand

: 615-53-2
ethyl N-methyl-N-nitrosocarbamate

: 67-64-1
acetone

: 71-36-3
butan-1-ol

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 78-93-3
butanone

Conditions

Conditions	Yield
With potassium carbonate

...Expand

: 115-11-7
isobutene

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
With iodine; potassium iodide

: 75-91-2
tert.-butylhydroperoxide

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 67-64-1
acetone

Conditions

Conditions	Yield
With water Irradiation; addition of t-BuOH, N2O;

: 56-23-5
tetrachloromethane

: 110-05-4
di-tert-butyl peroxide

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 74-87-3
methylene chloride

C: 67-72-1
hexachloroethane

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
at 35℃; Product distribution; Mechanism; Irradiation;

...Expand

: 62704-89-6
Methoxy-(3,4-epoxycyclohexyl)-methyl-tert.-butyl-peroxid

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 41088-52-2
methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

C: 107-31-3
Methyl formate

D: 286-20-4
cyclohexane-1,2-epoxide

E: 67-64-1
acetone

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In solid matrix at -196℃; for 10h; Rate constant; Thermodynamic data; Irradiation; activation energy;

...Expand

: 3965-63-7
tert-butylperoxytrimethylsilane

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 1066-40-6
Trimethylsilanol

C: 34557-54-5
methane

D: 107-46-0
Hexamethyldisiloxane

E: 67-64-1
acetone

F: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In hexane at 25℃; Product distribution; Kinetics; Irradiation;

...Expand

: 64651-86-1
Methoxy-tert.-butylperoxycyclohexenylmethan

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 107-31-3
Methyl formate

C: 6493-77-2
methyl cyclohex-3-ene-1-carboxylate

D: 67-64-1
acetone

E: 75-65-0
tert-butyl alcohol

F: 110-83-8
cyclohexene

Conditions

Conditions	Yield
In solid matrix at -196℃; for 10h; Rate constant; Thermodynamic data; Mechanism; Irradiation; activation energy, other substrates;

...Expand

: 15188-09-7
vinyltri(tert-butylperoxysilane)

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 34557-54-5
methane

C: 67-64-1
acetone

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In hexane at 25℃; Product distribution; Kinetics; Heating;

...Expand

: 274687-62-6
C4H9O2

: 558-30-5
2-methyl-1,2-epoxypropane

Conditions

Conditions	Yield
Rate constant;

: 54156-75-1
2-tert-butylperoxy-2-methyl-propyl

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 110-05-4
di-tert-butyl peroxide

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride In benzene at 24.9℃; Rate constant; Irradiation;

: 106828-10-8
bis(triphenylphosphine)-t-butoxy(methyl)palladium

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 513-35-9
2-methyl-but-2-ene

C: 34557-54-5
methane

D: 115-11-7
isobutene

Conditions

Conditions	Yield
In toluene 1.) -30 deg C, 2.) raising the temperature to 50 deg C;	A 68 % Chromat. B 4 % Chromat. C 94 % Chromat. D 7 % Chromat.

...Expand

: 106870-87-5
C41H27(2)H15NiOP2

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 676-80-2
methane-d3

C: 558-20-3
methane

D: 115-11-7
isobutene

Conditions

Conditions	Yield
In (2)H8-toluene at 50℃; Further byproducts given;	A n/a B 93 % Chromat. C 7 % Chromat. D n/a

...Expand

: 22937-64-0
3.4-Epoxyhexahydroperbenzoesaeure-tert-butylester

: 1707-75-1
2,2-diphenyl-1-picrylhydrazine

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 147506-92-1, 1898-66-4
2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl

C: 67-64-1
acetone

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In chlorobenzene at 70℃; Thermodynamic data; Kinetics; Rate constant; E(activ.), ΔS(activ.), oth. solvents, oth. temperature;

...Expand

: 35120-40-2
Dimethylaminomethyl-tert-butylperoxid

: 1707-75-1
2,2-diphenyl-1-picrylhydrazine

A: 558-30-5
2-methyl-1,2-epoxypropane

B: 147506-92-1, 1898-66-4
2,2-diphenyl-1-(2,4,6-trinitrophenyl)hydrazyl

C: 67-64-1
acetone

D: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In chlorobenzene at 70℃; Thermodynamic data; Kinetics; Rate constant; E(activ.), ΔS(activ.), oth. solvents, oth. temperature;

...Expand

: 558-30-5
2-methyl-1,2-epoxypropane

: 124-40-3
dimethyl amine

: 14123-48-9
1-dimethylamino-2-methyl-propan-2-ol

Conditions

Conditions	Yield
In water at -5 - 20℃; Schlenk technique; Inert atmosphere; Sealed tube;	100%
With water In water at 20 - 50℃; for 120h; Sealed tube;	91%
In water at 20℃; for 12h; Cooling with ice; Inert atmosphere;	89%

: 558-30-5
2-methyl-1,2-epoxypropane

: 103-49-1
dibenzylamine

: 344868-41-3
1-dibenzylamino-2-methyl-propan-2-ol

Conditions

Conditions	Yield
In ethanol at 50℃; for 72h;	100%
With water
With lithium bromide In methanol at 20 - 65℃; for 6h;
With lithium bromide at 20 - 60℃; for 18h;
With lithium bromide at 20 - 60℃; for 18h;

: 558-30-5
2-methyl-1,2-epoxypropane

: 124-38-9
carbon dioxide

: 4437-69-8
4,4-dimethyl-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With tetrabutylammomium bromide at 60℃; under 7500.75 Torr; for 72h; Time; Autoclave;	100%
With 2-(bis(5-(tert-butyl)-2-hydroxybenzyl)amino)-N,N,N-trimethylethan-1-aminium iodide at 120℃; Reagent/catalyst; Inert atmosphere; Schlenk technique;	99%
With tetrabutylammomium bromide In neat (no solvent) at 100℃; under 22502.3 Torr; for 8h;	99%

Isobutylene oxide Consensus Reports

Reported in EPA TSCA Inventory.

Isobutylene oxide Specification

The Isobutylene oxide, with the CAS registry number 558-30-5, is also known as 1,2-Epoxy-2-methylpropane. It belongs to the product categories of Oxiranes; Simple 3-Membered Ring Compounds. Its EINECS registry number is 209-193-8. This chemical's molecular formula is C₄H₈O and molecular weight is 72.11. Its IUPAC name is called 2,2-dimethyloxirane. This chemical's classification code is Mutation data. This product which is clear colorless liquid is an important organic intermediates. It also can be used for polyether, medicine, etc.

Physical properties of Isobutylene oxide: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.23; (3)ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.83; (7)ACD/KOC (pH 7.4): 31.83; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.402; (10)Molar Refractivity: 20.15 cm³; (11)Molar Volume: 82.6 cm³; (12)Surface Tension: 26.5 dyne/cm; (13)Density: 0.871 g/cm³; (14)Enthalpy of Vaporization: 28.3 kJ/mol; (15)Boiling Point: 52 °C at 760 mmHg; (16)Vapour Pressure: 283 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2-methyl-propan-2-ol. This reaction is a kind of Epoxidation//Cyclization. It will need reage92%.

Uses of Isobutylene oxide: it can be used to produce 1-tert-butylperoxy-2-methyl-propan-2-ol. It will need reagent aqueous KOH-solution.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air. It only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(C)(C)C1
(2)InChI: InChI=1/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
(3)InChIKey: GELKGHVAFRCJNA-UHFFFAOYAO

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3890mg/kg (3890mg/kg)		National Technical Information Service. Vol. OTS0535430,
rat	LD50	skin	> 4gm/kg (4000mg/kg)		National Technical Information Service. Vol. OTS0535430,

Product Name

Isobutylene oxide

Synthetic route

Isobutylene oxide Consensus Reports

Isobutylene oxide Specification

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