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CAS No.: | 1122-98-1 |
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Name: | CYCLOPENTYLACETONE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C8H14O |
Molecular Weight: | 126.199 |
Synonyms: | 2-Propanone,cyclopentyl- (6CI,7CI);1-Cyclopentyl-2-propanone;3-Cyclopentylpropanone;Cyclopentyl-2-propanone;Cyclopentylacetone;NSC 60396; |
Density: | 0.902 g/cm3 |
Boiling Point: | 166.418 °C at 760 mmHg |
Flash Point: | 54.235 °C |
PSA: | 17.07000 |
LogP: | 2.15570 |
The 2-Propanone,1-cyclopentyl- is an organic compound with the formula C8H14O. The systematic name of this chemical is 1-cyclopentylpropan-2-one. With the CAS registry number 1122-98-1, it is also named as 1-cyclopentylacetone.
Physical properties about 2-Propanone,1-cyclopentyl- are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.913; (3)ACD/LogD (pH 7.4): 1.913; (4)ACD/BCF (pH 5.5): 16.738; (5)ACD/BCF (pH 7.4): 16.738; (6)ACD/KOC (pH 5.5): 261.543; (7)ACD/KOC (pH 7.4): 261.543; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 37.048 cm3; (13)Molar Volume: 139.914 cm3; (14)Polarizability: 14.687×10-24cm3; (15)Surface Tension: 30.638 dyne/cm; (16)Density: 0.902 g/cm3; (17)Flash Point: 54.235 °C; (18)Enthalpy of Vaporization: 40.29 kJ/mol; (19)Boiling Point: 166.418 °C at 760 mmHg; (20)Vapour Pressure: 1.786 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclopentane and O-O-t-Butyl O-isopropenyl peroxycarbonate. The reaction time is 2.5 hours with reaction temperature of 130 °C. The yield is about 57%.
Uses of 2-Propanone,1-cyclopentyl-: it can be used to produce 1-bromo-3-cyclopentyl-propan-2-one at temperature of 15 - 20 °C. It will need reagents Br2, H2O and solvent methanol. The yield is about 95%.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)CC1CCCC1
(2)InChI: InChI=1/C8H14O/c1-7(9)6-8-4-2-3-5-8/h8H,2-6H2,1H3
(3)InChIKey: YYJCNNFQNIAISZ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H14O/c1-7(9)6-8-4-2-3-5-8/h8H,2-6H2,1H3
(5)Std. InChIKey: YYJCNNFQNIAISZ-UHFFFAOYSA-N