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Oxetane, 3-methyl-

  • Name Oxetane, 3-methyl-
  • EINECSN/A
  • CAS No. 2167-38-6
  • Density0.879 g/cm3
  • PSA9.23000
  • LogP0.65270
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC4H8O
  • Boiling Point59 °C at 760 mmHg
  • Molecular Weight72.1069
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 2167-38-6 (3-methyloxetane)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

Oxetane, 3-methyl- 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

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