Product Name

  • Name

    7-Oxabicyclo[4.1.0]heptan-2-one

  • EINECS 229-751-4
  • CAS No. 6705-49-3
  • Article Data73
  • CAS DataBase
  • Density 1.209 g/cm3
  • Solubility
  • Melting Point
  • Formula C6H8O2
  • Boiling Point 204.5 °C at 760 mmHg
  • Molecular Weight 112.128
  • Flash Point 91.382 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6705-49-3 (7-Oxabicyclo[4.1.0]heptan-2-one)
  • Hazard Symbols
  • Synonyms 2,3-Epoxycyclohexanone;2-Cyclohexen-1-one epoxide;2,3-Epoxy-1-cyclohexanone;2-Cyclohexenone oxide;Cyclohexanone, 2,3-epoxy-;NSC 316062;
  • PSA 29.60000
  • LogP 0.50680

7-Oxabicyclo[4.1.0]heptan-2-one Specification

The 7-Oxabicyclo[4.1.0]heptan-2-one, with the CAS registry number 6705-49-3 and EINECS registry number 229-751-4, is also called 2,3-epoxycyclohexanone. And the molecular formula of this chemical is C6H8O2. It belongs to the following product categories: Epoxyde; C3 to C6; Carbonyl Compounds; Ketones.

The physical properties of 7-Oxabicyclo[4.1.0]heptan-2-one are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.287; (5)ACD/KOC (pH 7.4): 14.287; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.6 Å2; (10)Index of Refraction: 1.504; (11)Molar Refractivity: 27.459 cm3; (12)Molar Volume: 92.754 cm3; (13)Polarizability: 10.885×10-24cm3; (14)Surface Tension: 39.57 dyne/cm; (15)Density: 1.209 g/cm3; (16)Flash Point: 91.382 °C; (17)Enthalpy of Vaporization: 44.073 kJ/mol; (18)Boiling Point: 204.5 °C at 760 mmHg; (19)Vapour Pressure: 0.263 mmHg at 25°C.

Uses of 7-Oxabicyclo[4.1.0]heptan-2-one: It can react with methanol to produce 2-Methoxy-2-cyclohexen-1-on. This reaction will need reagent konz. H2SO4. The reaction time is 0.5 hours with temperature of 20°C, and the yield is about 98%.

7-Oxabicyclo[4.1.0]heptan-2-one can react with methanol to produce 2-Methoxy-2-cyclohexen-1-on

You can still convert the following datas into molecular structure:
(1)SMILES: C1CC2C(O2)C(=O)C1
(2)InChI: InChI=1/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h5-6H,1-3H2
(3)InChIKey: QKOHEJBTNOEACF-UHFFFAOYAD

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