Cyclohexanone, 2-ethyl- supplier

Name
2-ETHYLCYCLOHEXANONE
EINECS 206-999-1
CAS No. 4423-94-3
Article Data59
CAS DataBase
Density 0.898 g/cm³
Solubility Soluble in alcohol. Insoluble in water.
Melting Point 110-112 °C(Solv: benzene (71-43-2); ligroine (8032-32-4)(1:1))
Formula C₈H₁₄O
Boiling Point 184.7 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 58.5 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (?à)-2-Ethylcyclohexanone;2-Ethylcyclohexanone;NSC 163961;
PSA 17.07000
LogP 2.15570

Cyclohexanone, 2-ethyl- Specification

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

Product Name

2-ETHYLCYCLOHEXANONE

Cyclohexanone, 2-ethyl- Specification

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