Registration Dossier
Registration Dossier
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EC number: 226-378-9 | CAS number: 5384-21-4
Endpoint summary
Administrative data
Description of key information
Appearance/physical state/colour
On the basis of physical observation and using the sense of smell, test chemical was observed to be a colourless amorphous organic solid with no odour at 25°C and 995 hPa.
Melting point/freezing point
The melting point determination of test substance was done as per the test guideline OECD 102. The method followed was according to Capillary. The melting point was determined to be in the range of 170-175°C at 978.3hPa.
Boiling point
The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The boiling point was determined to be greater than 240°C at 978.9hPa.
Density
The bulk density of test chemical by the mass by volume method was determined to be 0.744 g/cm3 at room temperature of 25 degC.
Particle size distribution (Granulometry)
The particle size distribution of test substance was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was observed to be in the range of 150 micron to 25micron.
Vapour pressure
The vapour pressure of test chemical was estimated to be 0.00000256 Pa at 25 deg C by means of Modified Grain Method.
Partition coefficient
The octanol- water partition coefficient of the test substance was estimated using OPERA V1.02.
The estimated LogPow of the test substance was 3.75 dimensionless.
Water solubility
The experimental value of the water solubility of test chemical was determined to be 100 mg/L at 25 degC indicating that it is moderately soluble in water.
Solubility in organic solvents / fat solubility
The experimental value of solubility of test chemical in methanol at temperature of 25 degC was determined to be 3950 mg/L indicating that it is soluble in methanol.
The experimental value of solubility of test chemical in petroleum ether at 25 degC was determined to be 330 mg/L indicating that this substance is moderately soluble in petroleum ether.
Surface tension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point
The flash point determination of test substance was done by the closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 121.6°C at 978.8 hPa.
Auto flammability
Test chemical did not catch fire on being exposed to air at room temperature of 25 degC and atmospheric pressure of 995 hPa.This indicates that it 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 degC was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use, test chemical was considered non-flammable for chemical safety assessment.
Explosiveness
According to theoretical considerations based on chemical structure, test chemical does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in the substance. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties
Test chemical was observed to have no oxidising property.
Stability in organic solvents and identity of relevant degradation products
Test chemical 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 solution was determined with the help of pH meter. The pH was determined to be 6.13 at 30 °C. Hence the substance is acidic in nature.
Dissociation constant
The experimental pKa value for test chemical was found to be 0.000000000001676 at 25 deg This pKa value when converted at 20 degC is equivalent to 0.0000000000013408.
Viscosity
This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and test substance is a solid substance and hence this testing was considered scientifically unjustified.
Additional information
Appearance/physical state/colour
On the basis of physical observation and using the sense of smell, test chemical was observed to be a colourless amorphous organic solid with no odour at 25°C and 995 hPa.
Melting point/freezing point
The melting point determination of test substance was done as per the test guideline OECD 102. The method followed was according to Capillary. The melting point was determined to be in the range of 170-175°C at 978.3hPa.
From other experimental report, the melting point of test substance, by the capillary method was determined to be 182 degC at an atmospheric pressure of 990 hPa.There was no decomposition & sublimation observed.
Also from other reliable sources, melting point of test substance was determined to be 175-177 degC.
Boiling point
The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be greater than 240°C at 978.9hPa.
Density
The bulk density of test chemical by the mass by volume method was determined to be 0.744 g/cm3 at room temperature of 25 degC.
Particle size distribution (Granulometry)
The particle size distribution of test substance was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was observed to be in the range of 150 micron to 25micron.
Vapour pressure
The vapour pressure of test chemical was estimated to be 0.00000256 Pa at 25 deg C by means of Modified Grain Method.
Partition coefficient
The octanol- water partition coefficient of the test substance was estimated using OPERA V1.02.
The estimated LogPow of the test substance was 3.75 dimensionless.
Water solubility
The experimental value of the water solubility of test chemical was found to be 100 mg/L at 25 degC indicating that it is moderately soluble in water.
Solubility in organic solvents / fat solubility
The experimental value of solubility of test chemical in methanol at temperature of 25 degC was determined to be 3950 mg/L indicating that it is soluble in methanol.
The experimental value of solubility of test chemical in petroleum ether at 25 degC was determined to be 330 mg/L indicating that this substance is moderately soluble in petroleum ether.
Surface tension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point
The flash point determination of test substance was done by the closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 121.6°C at 978.8 hPa.
From other experimental report, flash point of test chemical by the open cup method was determined to be 131.5 degC at 995 hPa
Auto flammability
Test chemical did not catch fire on being exposed to air at room temperature of 25 degC and atmospheric pressure of 995 hPa.This indicates that it 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 degC was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use, test chemical was considered non-flammable for chemical safety assessment.
Explosiveness
According to theoretical considerations based on chemical structure, test chemical does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in the substance. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties
Test chemical was observed to have no oxidising property.
Stability in organic solvents and identity of relevant degradation products
Test chemical 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 solution was determined with the help of pH meter. The pH was determined to be 6.13 at 30 °C. Hence the substance is acidic in nature.
Dissociation constant
The experimental pKa value for test chemical was found to be 0.000000000001676 at 25 deg This pKa value when converted at 20 degC is equivalent to 0.0000000000013408.
Viscosity
This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and test substance is a solid substance and hence this testing was considered scientifically unjustified.
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