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CAS No.: | 5422-88-8 |
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Name: | CYCLOPENTYL PHENYL KETONE |
Article Data: | 83 |
Molecular Structure: | |
Formula: | C12H14O |
Molecular Weight: | 174.243 |
Synonyms: | Ketone,cyclopentyl phenyl (6CI,7CI,8CI);Benzoylcyclopentane;Cyclopentyl phenylketone;Cyclopentylphenylmethanone;NSC 10749;NSC 401765;Phenyl cyclopentylketone; |
EINECS: | 226-548-2 |
Density: | 1.051 g/cm3 |
Boiling Point: | 273.9 °C at 760 mmHg |
Flash Point: | 112.4 °C |
Safety: | 23-24/25 |
PSA: | 17.07000 |
LogP: | 3.05950 |
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The Methanone,cyclopentylphenyl-, with the CAS registry number 5422-88-8, is also known as Phenyl cyclopentyl ketone. It belongs to the product categories of Pharmaceutical Intermediates; Aromatic Ketones (Substituted). Its EINECS registry number is 226-548-2. This chemical's molecular formula is C12H14O and molecular weight is 174.24. What's more, both its IUPAC name and systematic name are the same which is called Cyclopentyl(phenyl)methanone. It should be kept in a airtight, cold and dry place.
Physical properties about Methanone,cyclopentylphenyl- are: (1) ACD/LogP: 3.16; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.16; (4) ACD/LogD (pH 7.4): 3.16; (5) ACD/BCF (pH 5.5): 148.52; (6) ACD/BCF (pH 7.4): 148.52; (7) ACD/KOC (pH 5.5): 1247.88; (8) ACD/KOC (pH 7.4): 1247.88; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 17.07 Å2; (13) Index of Refraction: 1.548; (14) Molar Refractivity: 52.7 cm3; (15) Molar Volume: 165.7 cm3; (16) Surface Tension: 41.1 dyne/cm; (17) Density: 1.051 g/cm3; (18) Flash Point: 112.4 °C; (19) Enthalpy of Vaporization: 51.23 kJ/mol; (20) Boiling Point: 273.9 °C at 760 mmHg; (21) Vapour Pressure: 0.00556 mmHg at 25 °C.
Preparation of Methanone,cyclopentylphenyl-: this chemical can be prepared by Cyclopent-1-enyl-phenyl ketone. This reaction needs reagent H2. The yield is 38.5 %.
Uses of Methanone,cyclopentylphenyl-: it is used to produce other chemicals. For example, it is used to produce Cyclopentyl-phenyl-methane. The reaction occurs with reagent N2H4·H2O, KOH, Diethylene glycol and other condition of heating.
When you are dealing with this chemical, you should be very careful. You could not breathe the gas/fumes/vapour/spray. In addition, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)C2CCCC2
(2) InChI: InChI=1/C12H14O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
(3) InChIKey: VYDIMQRLNMMJBW-UHFFFAOYAW