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294-62-2

Basic Information
CAS No.: 294-62-2
Name: Cyclododecane
Molecular Structure:
Molecular Structure of 294-62-2 (Cyclododecane)
Formula: C12H24
Molecular Weight: 168.32
Synonyms: BRN 1901008;
EINECS: 206-033-9
Density: 0.791 g/cm3
Melting Point: 59-61 °C
Boiling Point: 246.999 °C at 760 mmHg
Flash Point: 87.585 °C
Solubility:
Appearance: white solid
Hazard Symbols: R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.;
Risk Codes: R52/53
Safety: 24/25
Transport Information:
PSA: 0.00000
LogP: 4.68120
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  • Cyclododecane

  • Casno:

    294-62-2

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  • cyclododecane

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  • 294-62-2

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  • Cyclododecane high purity

  • Casno:

    294-62-2

    Cyclododecane high purity

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Specification

The Cyclododecane has the CAS registry number 294-62-2. Its EINECS number is 206-033-9. This chemical's molecular formula is C12H24 and molecular weight is 168.32. What's more, its systematic name is cyclododecane. It is used as compound semiconductors, polymerization catalysts, or in organic synthesis. It is also used as an intermediate in production of flame retardants, detergents, and other chemicals.

Physical properties of Cyclododecane are: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.325; (4)ACD/LogD (pH 7.4): 6.325; (5)ACD/BCF (pH 5.5): 37762.496; (6)ACD/BCF (pH 7.4): 37762.496; (7)ACD/KOC (pH 5.5): 65742.078; (8)ACD/KOC (pH 7.4): 65742.078; (9)Index of Refraction: 1.433; (10)Molar Refractivity: 55.341 cm3; (11)Molar Volume: 212.883 cm3; (12)Polarizability: 21.939×10-24cm3; (13)Surface Tension: 25.952 dyne/cm; (14)Density: 0.791 g/cm3; (15)Flash Point: 87.585 °C; (16)Enthalpy of Vaporization: 46.454 kJ/mol; (17)Boiling Point: 246.999 °C at 760 mmHg; (18)Vapour Pressure: 0.041 mmHg at 25°C.

Preparation of Cyclododecane: this chemical can be prepared by cyclododecene at the temperature of 40 °C. This reaction will need reagents sodium borohydride, moist Al2O3 and solvent hexane. This reaction will also need catalyst NiCl2·6H2O. The yield is about 100%.

Cyclododecane can be prepared by cyclododecene at the temperature of 40 °C

Uses of Cyclododecane: it can be used to produce 1-cyclododecyl-propane-1,2-dione 1-oxime at the temperature of 60 °C. It will need reagent di-t-butyl peroxalate with the reaction time of 12 hours. The yield is about 40%.

Cyclododecane  can be used to produce 1-cyclododecyl-propane-1,2-dione 1-oxime at the temperature of 60 °C

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCCCCCCCCCC1
(2)Std. InChI: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
(3)Std. InChIKey: DDTBPAQBQHZRDW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 20(5/6), Pg. 772, 1973.