Registration Dossier
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EC number: 202-924-1 | CAS number: 101-20-2
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be an organic white crystalline powder.
Melting point:
The melting point determination of test substance was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The mean melting point was determined to be 245.3 °C at 977.9hPa.
Boiling Point:
The boiling point determination of test chemical was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determine to be greater than 250°C at 978.0hPa.
Density:
Density of test chemical was determined to be 1.53 g/cm3 at temperature 25 Deg C.
Particle size distribution:
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 75 micron.
Vapour pressure:
Vapour pressure of test substance was estimated to be 4.81E-9 hPa at 25 Deg C.
Partition coefficient:
The partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substances 4-Acetylpyridine, Benzene, Biphenyl, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Toluene, Ethylbenzene,Naphthalene, n-Butylbenzene, were chosen having log Pow range from 0.5 to 4.6.The Log Pow value was determined to be 3.633 ± 0.003 dimensionless at 25°C.
Water solubility:
The water solubility determination of test substance was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test substance in water was determined to be 0.6239 mg/L at 25°C. Hence the substance is slightly soluble in water.
Solubility in organic solvents / fat solubility:
The experimental value of solubility of test substance in methanol at 35 Deg C was determined to be 1600 mg/L indicating that this substance is soluble in methanol.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C.
Flash point:
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.
Auto flammability:
Test substance did not catch fire on being exposed to air at room temperature of 35 Deg C and atmospheric pressure of 960 hPa. This indicates that the test substance is not auto-flammable.
Flammability:
From the experimental values of flammability, test substance was ignited when the flame of bunsen burner having temperature of 950 Deg C brought in contact with it. Thus it can be concluded
that the substance is non-flammable.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidizing properties:
Test substance was determine to be oxidising since 147.3 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test substance.
Stability in organic solvents and identity of relevant degradation products:
The test substance was observed to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
The pH determination of test substance was done as per the test guideline OECD 122. The pH of the test dispersion was determined with the help of digital pH meter. The pH was determine to be 7.5 at 31 °C.
Dissociation constant:
The experimental pKa value for test substance was determined to be 0.000000000000024 at 30 Deg C indicating that it has dissociation properties.
Viscosity:
The study does not need to be conducted because the substance is a solid. This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow. As the test substance is solid and hence this testing was considered scientifically unjustified.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be an organic white crystalline powder.
Also from other reliable sources, the test chemical was observed to be an organic white to off-white powder with slight, characteristic odor.
Melting point:
The melting point determination of test substance was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The mean melting point was determined to be 245.3 °C at 977.9hPa.
From other reliable sources, melting point of test substance was observed within the range of 250 - 256 °C, 246°C, 256 degree C.
Boiling Point:
The boiling point determination of test chemical was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determine to be greater than 250°C at 978.0hPa.
Density:
Density of test chemical was determined to be 1.53 g/cm3 at temperature 25 Deg C.
From other experimental study report, the bulk density of test substance by the mass by volume method was determined to be 0.401 g/cm3 at room temperature of 35 deg C.
Particle size distribution:
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 75 micron.
Vapour pressure:
Vapour pressure of test substance was estimated to be 4.81E-9 hPa at 25 Deg C.
From other authoritative databases vapour pressure of test substance was estimated to be 8.89E-05 hPa at 25 Deg C, less than 1 hPa at Temp: 50 °C.
Partition coefficient:
The partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.
The reference substances 4-Acetylpyridine, Benzene, Biphenyl, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Toluene, Ethylbenzene,Naphthalene, n-Butylbenzene, were chosen having log Pow range from 0.5 to 4.6.The Log Pow value was determined to be 3.633 ± 0.003 dimensionless at 25°C.
Water solubility:
The water solubility determination of test substance was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test substance in water was determined to be 0.6239 mg/L at 25°C. Hence the substance is slightly soluble in water.
Solubility in organic solvents / fat solubility:
The experimental value of solubility of test substance in methanol at 35 Deg C was determined to be 1600 mg/L indicating that this substance is soluble in methanol.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C.
Flash point:
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.
Auto flammability:
Test substance did not catch fire on being exposed to air at room temperature of 35 Deg C and atmospheric pressure of 960 hPa. This indicates that the test substance is not auto-flammable.
Flammability:
From the experimental values of flammability, test substance was ignited when the flame of bunsen burner having temperature of 950 Deg C brought in contact with it. Thus it can be concluded that the substance is non-flammable.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidizing properties:
Test substance was determine to be oxidising since 147.3 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test substance.
Stability in organic solvents and identity of relevant degradation products:
The test substance was observed to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.
pH:
The pH determination of test substance was done as per the test guideline OECD 122. The pH of the test dispersion was determined with the help of digital pH meter. The pH was determine to be 7.5 at 31 °C.
From other experimental study report,1% by volume solution of test substance was found to exhibit a pH of 7.56 at 28 degree C.
Dissociation constant:
The experimental pKa value for test substance was determined to be 0.000000000000024 at 30 Deg C indicating that it has dissociation properties.
Viscosity:
The study does not need to be conducted because the substance is a solid. This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow. As the test substance is solid and hence this testing was considered scientifically unjustified.
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