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CAS No.: | 933-11-9 |
---|---|
Name: | 1-METHYL-1-CYCLOOCTENE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H16 |
Molecular Weight: | 124.226 |
Synonyms: | 1-Methyl-1-cyclooctene;1-Methylcyclooctene;NSC 105774; |
Density: | 0.81 g/cm3 |
Boiling Point: | 163.2 °C at 760 mmHg |
Flash Point: | 39.3 °C |
PSA: | 0.00000 |
LogP: | 3.28690 |
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This chemical is called 1-Methylcyclooctene, and it's also named as Cyclooctene, 1-methyl-. With the molecular formula of C9H16, its molecular weight is 124.22. The CAS registry number of this chemical is 933-11-9.
Other characteristics of the 1-Methylcyclooctene can be summarised as followings: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1889.57; (6)ACD/BCF (pH 7.4): 1889.57; (7)ACD/KOC (pH 5.5): 7705.8; (8)ACD/KOC (pH 7.4): 7705.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 41.2 cm3; (14)Molar Volume: 153.2 cm3; (15)Polarizability: 16.33×10-24cm3; (16)Surface Tension: 25.6 dyne/cm; (17)Density: 0.81 g/cm3; (18)Flash Point: 39.3 °C; (19)Enthalpy of Vaporization: 38.33 kJ/mol; (20)Boiling Point: 163.2 °C at 760 mmHg; (21)Vapour Pressure: 2.73 mmHg at 25°C.
Production method of this chemical: The 1-Methylcyclooctene could be obtained by the reactant of (trans-2-hydroxy-2-methylcyclooctyl)diphenylphosphine oxide. This reaction needs the reagent of NaH, and the solvent of dimethylformamide. The yield is 54 %. In addition, this reaction should be taken for 2 hours at ambient temperature.
Uses of this chemical: The 1-Methylcyclooctene could react with diphenylketene, and obtain the 1-methyl-10,10-diphenyl-trans-bicyclo[6.2.0]decan-9-one. This reaction needs solvent of benzene. The yield is 87 %. In addition, this reaction should be taken for 10 minutes at the ambient temperature.
You can still convert the following datas into molecular structure:
1. InChI: InChI=1/C9H16/c1-9-7-5-3-2-4-6-8-9/h7H,2-6,8H2,1H3/b9-7-
2.Smiles: C1(=CCCCCCC1)C