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.
|
|