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Peroxydicarbonic acid,C,C'-dihexadecyl ester (26322-14-5)

Identification
Name:Peroxydicarbonic acid,C,C'-dihexadecyl ester
Synonyms:Peroxydicarbonicacid, dihexadecyl ester (8CI,9CI);Dicetyl peroxydicarbonate;Dihexadecylperoxydicarbonate;Liladox;Liladox 33W;Liladox 90P;Lupersol 216;Perkadox24;Perkadox 24FL;Perkadox 24L;Perkadox 24W40;
CAS:26322-14-5
EINECS: 247-611-0
Molecular Formula: C34H66O6
Molecular Weight: 570.89
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
Molecular Structure: (C34H66O6) Peroxydicarbonicacid, dihexadecyl ester (8CI,9CI);Dicetyl peroxydicarbonate;Dihexadecylperoxydicarbo...
Properties
Transport:UN 2895/2164/2985
Density:0.936 g/cm3
Stability:No data.
Refractive index:1.458
Solubility:Insoluble
Appearance:White powder
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.
 

Packinggroup: II
Storage Temperature: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Safety Data