CAS No.4971-18-0,2-ETHYLCYCLOPENTANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4971-18-0
Name:	2-ETHYLCYCLOPENTANONE

Formula:	C₇H₁₂O
Molecular Weight:	112.17
Synonyms:	2-Ethylcyclopentanone;NSC 105441;2-Ethylcyclopentanone 99%;
EINECS:	225-612-7
Density:	0.913 g/cm³
Boiling Point:	163.5 °C at 760 mmHg
Flash Point:	45.8 °C
PSA:	17.07000
LogP:	1.76560

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Specification

The CAS register number of Cyclopentanone,2-ethyl- is 4971-18-0. It also can be called as 2-Ethylcyclopentanone and the IUPAC name about this chemical is 2-ethylcyclopentan-1-one. The molecular formula about this chemical is C₇H₁₂O and the molecular weight is 112.17.

Physical properties about Cyclopentanone,2-ethyl- are: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 4.99; (5)ACD/BCF (pH 7.4): 4.99; (6)ACD/KOC (pH 5.5): 110; (7)ACD/KOC (pH 7.4): 110; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 32.51 cm³; (13)Molar Volume: 122.7 cm³; (14)Polarizability: 12.89x10^-24cm³; (15)Surface Tension: 28.5 dyne/cm; (16)Density: 0.913 g/cm³; (17)Flash Point: 45.8 °C; (18)Enthalpy of Vaporization: 40 kJ/mol; (19)Boiling Point: 163.5 °C at 760 mmHg; (20)Vapour Pressure: 2.06 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-(2'-chlorovinyl)-2-hydroxy-2-cyclopentenone. This reaction will need reagent of hydrogene and solvent of ethanol. This reaction needs catalytic agent of PdCl₂-gum arabic. The reaction temperature is 30 °C. The yield is about 53%.

Uses of : it can be used to produce 2-Ethylcyclopentanone oxime. This reaction will need reagent of NH₂OH*HCl, NaOAc and solvent of H₂O, methanol. The reaction temperature is 60 °C. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(CC)CCC1
(2)InChI: InChI=1/C7H12O/c1-2-6-4-3-5-7(6)8/h6H,2-5H2,1H3
(3)InChIKey: PPTKUTYPOKHBTL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H12O/c1-2-6-4-3-5-7(6)8/h6H,2-5H2,1H3
(5)Std. InChIKey: PPTKUTYPOKHBTL-UHFFFAOYSA-N