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| CAS No.: | 931-57-7 |
|---|---|
| Name: | 1-METHOXYCYCLOHEXENE |
| Article Data: | 44 |
| Molecular Structure: | |
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| Formula: | C7H12O |
| Molecular Weight: | 112.172 |
| Synonyms: | Ether,1-cyclohexen-1-yl methyl (6CI,7CI,8CI);1-Cyclohexen-1-yl methyl ether;1-Methoxy-1-cyclohexene;Cyclohexanone methyl enol ether;2,3,4,5-Tetrahydroanisole;AC1L2DPH;Ether, 1-cyclohexen-1-yl methyl; |
| Density: | 0.89 g/cm3 |
| Boiling Point: | 165.3 °C at 760 mmHg |
| Flash Point: | 44.7 °C |
| Appearance: | Colourless oil |
| PSA: | 9.23000 |
| LogP: | 2.09070 |
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- Total:14 Page 1 of 1 1
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Specification
The Cyclohexene, 1-methoxy- with CAS registry number of 931-57-7 is also known as Ether, 1-cyclohexen-1-yl methyl. The IUPAC name is 1-Methoxycyclohexene. It belongs to product categories of Miscellaneous Reagents. In addition, the formula is C7H12O and the molecular weight is 112.17. This chemical is a colourless oil.
Physical properties about Cyclohexene, 1-methoxy- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.54; (6)ACD/BCF (pH 7.4): 25.54; (7)ACD/KOC (pH 5.5): 353.91; (8)ACD/KOC (pH 7.4): 353.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 33.83 cm3; (14)Molar Volume: 124.9 cm3; (15)Surface Tension: 27 dyne/cm; (16)Density: 0.89 g/cm3; (17)Flash Point: 44.7 °C; (18)Enthalpy of Vaporization: 38.53 kJ/mol; (19)Boiling Point: 165.3 °C at 760 mmHg; (20)Vapour Pressure: 2.48 mmHg at 25 °C.
Preparation of Cyclohexene, 1-methoxy-: it is prepared by reaction of iodomethane with cyclohex-3-enol. The reaction needs reagent NaH and the yield is about 37%.
Uses of Cyclohexene, 1-methoxy-: it is used to produce 3-methoxy-7-oxabicyclo[4.1.0]heptane. The reaction occurs with reagent m-chloroperoxybenzoic acid and solvents CH2Cl2, CCl4 at the temperature of -5 - 20 °C for 7 hours. The yield is about 43%.
![Cyclohexene, 1-methoxy- is used to produce 3-methoxy-7-oxabicyclo[4.1.0]heptane.](/UserFilesUpload/Uses of Cyclohexene, 1-methoxy-.png)
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CCCCC1
2. InChI: InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
3. InChIKey: HZFQGYWRFABYSR-UHFFFAOYSA-N