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| CAS No.: | 6705-49-3 |
|---|---|
| Name: | 7-Oxabicyclo[4.1.0]heptan-2-one |
| Article Data: | 73 |
| Molecular Structure: | |
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| Formula: | C6H8O2 |
| Molecular Weight: | 112.128 |
| Synonyms: | 2,3-Epoxycyclohexanone;2-Cyclohexen-1-one epoxide;2,3-Epoxy-1-cyclohexanone;2-Cyclohexenone oxide;Cyclohexanone, 2,3-epoxy-;NSC 316062; |
| EINECS: | 229-751-4 |
| Density: | 1.209 g/cm3 |
| Boiling Point: | 204.5 °C at 760 mmHg |
| Flash Point: | 91.382 °C |
| PSA: | 29.60000 |
| LogP: | 0.50680 |
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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](/UserFilesUpload/Uses of 7-Oxabicyclo[4_1_0]heptan-2-one.jpg)
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