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1678-91-7

Basic Information
CAS No.: 1678-91-7
Name: Ethylcyclohexane
Article Data: 322
Molecular Structure:
Molecular Structure of 1678-91-7 (Ethylcyclohexane)
Formula: C8H16
Molecular Weight: 112.215
Synonyms: Cyclohexylethane;NSC 8880;
EINECS: 216-835-0
Density: 0.779 g/cm3
Melting Point: -111 °C
Boiling Point: 129.4 °C at 760 mmHg
Flash Point: 18.9 °C
Solubility: insoluble in water
Appearance: clear colorless liquid
Hazard Symbols: FlammableF; HarmfulXn; DangerousN
Risk Codes: 11-65
Safety: 9-16-29-33-62
Transport Information: UN 1993 3/PG 2
PSA: 0.00000
LogP: 2.97670
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Specification

The IUPAC name of this chemical is Ethylcyclohexane. With the CAS registry number 1678-91-7 and EINECS registry number 216-835-0, it is also named as cyclohexane, ethyl-. In addition, the molecular formula is C8H16. It is a clear colorless liquid and may be incompatible with strong oxidizing agents such as nitric acid. And it is used as a solvent, metal surface treatment agent and chromatographic analysis of standard substances.

Physical properties about this chemical are: (1)ACD/LogP: 4.41; (2)ACD/LogD (pH 5.5): 4.41; (3)ACD/LogD (pH 7.4): 4.41; (4)ACD/BCF (pH 5.5): 1321.07; (5)ACD/BCF (pH 7.4): 1321.07; (6)ACD/KOC (pH 5.5): 5964.26; (7)ACD/KOC (pH 7.4): 5964.26; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.427; (10)Molar Refractivity: 36.99 cm3; (11)Molar Volume: 144 cm3; (12)Polarizability: 14.66 ×10-24cm3; (13)Surface Tension: 25.7 dyne/cm; (14)Density: 0.779 g/cm3; (15)Flash Point: 18.9 °C; (16)Enthalpy of Vaporization: 34.04 kJ/mol; (17)Boiling Point: 129.4 °C at 760 mmHg; (18)Vapour Pressure: 12.4 mmHg at 25°C.

Preparation of Ethylcyclohexane: it can be prepared by 4-vinyl-cyclohexene. This reaction will need reagent H2, catalyst Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) and solvent H2O. The reaction time is 48 hours with ambient temperature. The yield is about 95%.

Ethylcyclohexane can be prepared by 4-vinyl-cyclohexene

Uses of Ethylcyclohexane: it can react with propan-2-ol and carbon monoxide to get 1-ethyl-cyclohexanecarboxylic acid isopropyl ester and bromo-cyclooctane. This reaction will need reagents CBr4 and AlBr3, and various solvents. The temperature of the first step is -40 °C. And in the second step, the temperature should be maintained at -40 - -20 °C. In addition, the reaction time is 1 hour with reaction pressure of 760 Pa. The yield is about 69%.

Ethylcyclohexane can react with propan-2-ol and carbon monoxide to get 1-ethyl-cyclohexanecarboxylic acid isopropyl ester and bromo-cyclooctane

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. And it may cause lung damage if swallowed. If swallowed, do not induce vomiting. And you must seek medical advice immediately and show this container or label. In addition, keep it away from sources of ignition - No smoking. Moreover, you should keep container in a well-ventilated place. Besides, you can not empty into drains. You should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC1CCCCC1
(2)Std. InChI: InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
(3)Std. InChIKey: IIEWJVIFRVWJOD-UHFFFAOYSA-N