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[1,1'-Bicyclopentyl]-2-one

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Name

[1,1'-Bicyclopentyl]-2-one

EINECS 225-495-2
CAS No. 4884-24-6 Density 1.031 g/cm3
PSA 17.07000 LogP 2.54580
Solubility N/A Melting Point -13°C
Formula C10H16O Boiling Point 232.5 °C at 760 mmHg
Molecular Weight 152.236 Flash Point 90.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4884-24-6 (2-CYCLOPENTYLCYCLOPENTANONE) Hazard Symbols Xn
Synonyms

Cyclopentanone,2-cyclopentyl- (6CI,7CI);[Bicyclopentyl]-2-one (8CI);2-Cyclopentylcyclopentanone;[1,1'-Bicyclopentan]-2-one;

Article Data 32

[1,1'-Bicyclopentyl]-2-one Specification

The CAS register number of [1,1'-Bicyclopentyl]-2-one is 4884-24-6. It also can be called as [1,1'-Bicyclopentan]-2-one and the IUPAC name about this chemical is 2-cyclopentylcyclopentan-1-one. The molecular formula about this chemical is C10H16O and the molecular weight is 152.23.

Physical properties about [1,1'-Bicyclopentyl]-2-one are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 26.96; (5)ACD/BCF (pH 7.4): 26.96; (6)ACD/KOC (pH 5.5): 367.94; (7)ACD/KOC (pH 7.4): 367.94; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 44.29 cm3; (13)Molar Volume: 147.5 cm3; (14)Polarizability: 17.55x10-24cm3; (15)Surface Tension: 40.6 dyne/cm; (16)Density: 1.031 g/cm3; (17)Flash Point: 90.3 °C; (18)Enthalpy of Vaporization: 46.92 kJ/mol; (19)Boiling Point: 232.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0588 mmHg at 25 °C.

Preparation: this chemical can be prepared by cyclopentanone and cyclopentene. This reaction will need reagent of t-BuOOH. The reaction temperature is 170 - 180 °C. This reaction needs pressure of 13501.07 - 15001.2. The yield is about 67%.

Uses of [1,1'-Bicyclopentyl]-2-one: it can be used to produce 6-cyclopentyl-tetrahydro-pyran-2-one. This reaction will need reagent of m-ClPhCO3H and solvent of CHCl3. This reaction needs Baeyer-Villiger oxidation. The reaction temperature is 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCC1C2CCCC2
(2)InChI: InChI=1/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2
(3)InChIKey: CWZGKTMWPFTJCS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2
(5)Std. InChIKey: CWZGKTMWPFTJCS-UHFFFAOYSA-N

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