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| CAS No.: | 934-42-9 |
|---|---|
| Name: | 2-butylcyclopentanone |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C9H16O |
| Molecular Weight: | 140.225 |
| Synonyms: | 2-Butyl-1-cyclopentanone;2-Butylcyclopentanone;2-n-Butylcyclopentanone; |
| EINECS: | 213-282-7 |
| Density: | 0.9 g/cm3 |
| Boiling Point: | 200.1 °C at 760 mmHg |
| Flash Point: | 67.7 °C |
| PSA: | 17.07000 |
| LogP: | 2.54580 |
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- Total:9 Page 1 of 1 1
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Specification
The Cyclopentanone,2-butyl-, with the CAS registry number 934-42-9, is also known as 2-Butyl-1-cyclopentanone. Its EINECS number is 213-282-7. This chemical's molecular formula is C9H16O and molecular weight is 140.22. What's more, its systematic name is 2-butylcyclopentanone.
Physical properties of Cyclopentanone,2-butyl- are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/BCF (pH 5.5): 32.05; (5)ACD/KOC (pH 5.5): 416.39; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 41.78 cm3; (12)Molar Volume: 155.7 cm3; (13)Polarizability: 16.56×10-24cm3; (14)Surface Tension: 29.8 dyne/cm; (15)Density: 0.9 g/cm3; (16)Flash Point: 67.7 °C; (17)Enthalpy of Vaporization: 43.63 kJ/mol; (18)Boiling Point: 200.1 °C at 760 mmHg; (19)Vapour Pressure: 0.33 mmHg at 25°C.
Preparation of Cyclopentanone,2-butyl-: this chemical can be prepared by 2-(1-phenylthiobutyl)cyclopentanone at the temperature of 20 °C. This reaction will need solvents acetone, ethanol with the reaction time of 2 hours. This reaction will also need catalyst W-2 Raney nickel. The yield is about 94%.
Uses of Cyclopentanone,2-butyl-: it can be used to produce 1-methyl-t-2-butylcyclopentan-r-1-ol at the temperature of -78 °C. It will need reagent methylaluminum bis(2,6-di-tert-butylphenoxide) and solvents toluene, diethyl ether with the reaction time of 2 hours. The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(CCCC)CCC1
(2)InChI: InChI=1S/C9H16O/c1-2-3-5-8-6-4-7-9(8)10/h8H,2-7H2,1H3
(3)InChIKey: ZAQYRXDJFINJJE-UHFFFAOYSA-N