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Cas Database |
| Name |
Isobutylene oxide |
EINECS | 209-193-8 |
| CAS No. | 558-30-5 | Density | 0.871 g/cm3 |
| PSA | 12.53000 | LogP | 0.79520 |
| Solubility | 58 g/L (20 °C) in water | Melting Point |
N/A |
| 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; |
Article Data | 75 |
Isobutylene oxide Synthetic route
| 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% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide at -15℃; under 500 Torr; for 5h; Epoxidation; Cyclization; | 92% |
| With potassium hydroxide | |
| With sodium hydroxide; water |
| Conditions | Yield |
|---|---|
| decompn. at 70°C (0.5 h); | A 89% B n/a |
| 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 | Yield |
|---|---|
| In toluene for 0.166667h; Reflux; regioselective reaction; | A n/a B 85% |
- 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 | Yield |
|---|---|
| In toluene for 0.166667h; Reflux; regioselective reaction; | A n/a B 85% |
- 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 | 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. |
- 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 | Yield |
|---|---|
| With Methylenedioxybenzene In benzene-d6 at 20℃; Product distribution; Photolysis; | A 3% B n/a C 28% D 69% |
- 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 | Yield |
|---|---|
| A 2% B 68% |
- 91547-45-4
cis-bis(acetonitrile)chloronitropalladium(II)
- 115-11-7
isobutene
A
- 558-30-5
2-methyl-1,2-epoxypropane
| Conditions | Yield |
|---|---|
| With oxygen In chloroform-d1 CDCl3, 25°C, 24 h, air;; not sepd., detected by NMR spectra;; | A 16% B n/a |
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%.
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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.
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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, |
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