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CAS No.: | 4423-94-3 |
---|---|
Name: | 2-ETHYLCYCLOHEXANONE |
Article Data: | 59 |
Molecular Structure: | |
Formula: | C8H14O |
Molecular Weight: | 126.199 |
Synonyms: | (?à)-2-Ethylcyclohexanone;2-Ethylcyclohexanone;NSC 163961; |
EINECS: | 206-999-1 |
Density: | 0.898 g/cm3 |
Melting Point: | 110-112 °C(Solv: benzene (71-43-2); ligroine (8032-32-4)(1:1)) |
Boiling Point: | 184.7 °C at 760 mmHg |
Flash Point: | 58.5 °C |
Solubility: | Soluble in alcohol. Insoluble in water. |
Safety: | 23-24/25 |
PSA: | 17.07000 |
LogP: | 2.15570 |
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The Cyclohexanone, 2-ethyl- is an organic compound with the formula C8H14O. The IUPAC name of this chemical is 2-ethylcyclohexan-1-one. With the CAS registry number 4423-94-3, it is also named as 2-ethylcyclohexanone. Besides, it should be stored in a dark closed and well-ventilated place.
Physical properties about Cyclohexanone, 2-ethyl- are: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.79; (3)ACD/LogD (pH 7.4): 1.79; (4)ACD/BCF (pH 5.5): 13.4; (5)ACD/BCF (pH 7.4): 13.4; (6)ACD/KOC (pH 5.5): 223.03; (7)ACD/KOC (pH 7.4): 223.03; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 37.12 cm3; (13)Molar Volume: 140.5 cm3; (14)Polarizability: 14.71×10-24cm3; (15)Surface Tension: 28.2 dyne/cm; (16)Density: 0.898 g/cm3; (17)Flash Point: 58.5 °C; (18)Enthalpy of Vaporization: 42.09 kJ/mol; (19)Boiling Point: 184.7 °C at 760 mmHg; (20)Vapour Pressure: 0.723 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-ethyl-2-oxo-cyclohexanecarboxylic acid ethyl ester. This reaction will need reagent aqueous hydrochloric acid.
Uses of Cyclohexanone, 2-ethyl-: it can be used to produce 7-ethyl-oxepan-2-one at ambient temperature. It will need reagent m-chloroperbenzoic acid and solvent CH2Cl2 with reaction time of 24 hours. The yield is about 93%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1CC
(2)InChI: InChI=1/C8H14O/c1-2-7-5-3-4-6-8(7)9/h7H,2-6H2,1H3
(3)InChIKey: WKYYYUWKFPFVEY-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H14O/c1-2-7-5-3-4-6-8(7)9/h7H,2-6H2,1H3
(5)Std. InChIKey: WKYYYUWKFPFVEY-UHFFFAOYSA-N