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| CAS No.: | 2167-38-6 |
|---|---|
| Name: | 3-methyloxetane |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H8O |
| Molecular Weight: | 72.1069 |
| Synonyms: | Propane,1,3-epoxy-2-methyl- (8CI);3-Methyloxetane; |
| Density: | 0.879 g/cm3 |
| Boiling Point: | 59 °C at 760 mmHg |
| PSA: | 9.23000 |
| LogP: | 0.65270 |
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Specification
The Oxetane, 3-methyl- is an organic compound with the formula C4H8O. With the CAS registry number 2167-38-6, the systematic name of this chemical is 3-methyloxetane.
Physical properties about Oxetane, 3-methyl- are: (1)ACD/LogP: 0.26; (2)ACD/LogD (pH 5.5): 0.25; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.77; (7)ACD/KOC (pH 7.4): 32.77; (8)#H bond acceptors: 1; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.406; (11)Molar Refractivity: 20.14 cm3; (12)Molar Volume: 82 cm3; (13)Polarizability: 7.98×10-24cm3; (14)Surface Tension: 25.3 dyne/cm; (15)Density: 0.879 g/cm3; (16)Flash Point: °C; (17)Enthalpy of Vaporization: 28.91 kJ/mol; (18)Boiling Point: 59 °C at 760 mmHg; (19)Vapour Pressure: 217 mmHg at 25°C.
Uses of Oxetane, 3-methyl-: it can be used to produce 5-methyl-2-oxo-1,3-dioxane at temperature of 120 °C. It will need reagent Ph4SbI. The yield is about 93%.
You can still convert the following datas into molecular structure:
(1)SMILES: O1CC(C)C1
(2)InChI: InChI=1/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3
(3)InChIKey: VJQHJNIGWOABDZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3
(5)Std. InChIKey: VJQHJNIGWOABDZ-UHFFFAOYSA-N