Product Name

  • Name

    Dicetyl peroxydicarbonate

  • EINECS 247-611-0
  • CAS No. 26322-14-5
  • Article Data2
  • CAS DataBase
  • Density 0.936 g/cm3
  • Solubility 1μg/L at 20℃
  • Melting Point 52℃ -54℃
  • Formula C34H66O6
  • Boiling Point 592.2 °C at 760 mmHg
  • Molecular Weight 570.894
  • Flash Point 237.6 °C
  • Transport Information UN 2895/2164/2985
  • Appearance White powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 26322-14-5 (Dicetyl peroxydicarbonate)
  • Hazard Symbols
  • Synonyms Peroxydicarbonicacid, dihexadecyl ester (8CI,9CI);Dicetyl peroxydicarbonate;Dihexadecylperoxydicarbonate;Liladox;Liladox 33W;Liladox 90P;Lupersol 216;Perkadox24;Perkadox 24FL;Perkadox 24L;Perkadox 24W40;
  • PSA 71.06000
  • LogP 12.17040

Synthetic route

cetyl chloroformate
26272-90-2

cetyl chloroformate

di-cetyl peroxydicarbonate
26322-14-5

di-cetyl peroxydicarbonate

Conditions
ConditionsYield
With sodium peroxide In diethyl ether at 10 - 15℃; for 0.5h; Oxidation;

Dicetyl peroxydicarbonate Specification

The Dicetyl peroxydicarbonate with the cas number 26322-14-5, is also called Dihexadecyl peroxydicarbonate. The systematic name is Peroxydicarbonic acid, C,C'-dihexadecyl ester. Its molecular formula is C34H66O6. It is an initiator of vinyl chloride polymerization.This chemical is sensitive to heat, so storage of it must be controlled temperature.

The properties of the chemical are: (1)ACD/LogP: 16.81; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.81; (4)ACD/LogD (pH 7.4): 16.81; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 35; (12)Polar Surface Area: 71.06 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 166.6 cm3; (15)Molar Volume: 609.4 cm3; (16)Polarizability: 66.04×10-24cm3; (17)Surface Tension: 34.1 dyne/cm; (18)Enthalpy of Vaporization: 88.31 kJ/mol; (19)Vapour Pressure: 5.39×10-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(OOC(OCCCCCCCCCCCCCCCC)=O)(OCCCCCCCCCCCCCCCC)=O
(2)InChI: InChI=1/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC inhalation > 100mg/m3 (100mg/m3)   Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (1), Pg. 37, 1996.
 
mouse LD oral > 10gm/kg (10000mg/kg)   Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (1), Pg. 37, 1996.
 
rat LD oral > 10gm/kg (10000mg/kg)   Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (1), Pg. 37, 1996.
 

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