Registration Dossier
Registration Dossier
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EC number: 258-038-0 | CAS number: 52605-52-4
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 organic crystalline odourless solid at 28°C and 975 hPa.
Melting point:
The melting point of test chemical by the capillary method was determine to be 132 deg C at an atmospheric pressure of 975 hPa. There was no decomposition & sublimation observed of test chemical at the melting point.
Boiling Point:
The boiling point of test chemical by the distillation method was determine to be 147 deg C at the atmospheric pressure of 975 hPa. No decomposition of test chemical was observed at the boiling point.
Density:
The experimental value of density of test chemical by the mass by volume method was observed to be 0.775 g/cm3 at room temperature of 28°C . This method is based upon the principle of calculating the mass per unit volume of liquid
Particle size distribution:
The particle size distribution (granulometry) of test chemical by the sieve analysis method was determine to be in the range of 53 micrometer to 150 micrometer. Majority of the particles were determine to be in the size more than 150 (47.15%) - 75 (38.34%) micrometer in size.
Vapour pressure:
The estimated vapour pressure of the test substance at 25 deg C was 1.12E-08 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 28°C and pH 3.81, respectively. The log Pow value of test chemical was determined to be 0.301 dimensiomless at a temperature of 28°C and pH 3.81, respectively. On the basis of this value, test chemical is considered to be hydrophilic in nature.
Water solubility:
The experimental value of the water solubility of test chemical was obtained to be 3900 mg/L at 28 deg C and the value indicates that it the substance is soluble in water.
Solubility in organic solvents / fat solubility:
The experimental value related to the solubility of test chemical in petroleum ether at 28 deg C was obtained to be 1100 mg/L thus, indicating that this substance is soluble in petroleum ether.
The experimental value of solubility of test chemical in methanol at 28 deg C was determine to be 4000 mg/L indicating that this substance is soluble in methanol.
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 for the substance, test chemical as it is solid in character.
Flash point:
The experimental value of flash point of test chemical by the open cup method was observed to be 141 deg C at pressure 975 hPa.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 28 deg C and atmospheric pressure of 975 hPa. This indicates that the substance, test chemical is not auto-flammable in nature.
Flammability:
From the experimental values of flammability, test chemical ignited when the flame of bunsen burner having temperature of 950 deg C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 deg C. However since such high temperatures are not found under normal circumstances of transportation and use, test chemical was considered non-flammable in nature.
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 test chemical. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidizing properties:
According to redox titration considerations, test chemical do notpossess any oxidising property. So, it can be concluded that the substance is non oxidising in nature.
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:
1% by volume solution of test chemical was determine to exhibit a pH of 3.83 at 26 deg C. Thus 1% by volume solution of test chemical is acidic in character.
Dissociation constant:
The experimental pKa value for test chemical was determine to be 0.0000000007 ,0.000000001 ,0.000000000000175 at 28 deg C.
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 chemical is a solid substance and hence this testing was considered scientifically unjustified for test chemical.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be organic crystalline odourless solid at 28°C and 975 hPa.
Melting point:
The melting point of test chemical by the capillary method was determine to be 132 deg C at an atmospheric pressure of 975 hPa. There was no decomposition & sublimation observed of test chemical at the melting point.
Boiling Point:
The boiling point of test chemical by the distillation method was determine to be 147 deg C at the atmospheric pressure of 975 hPa. No decomposition of test chemical was observed at the boiling point.
Density:
The experimental value of density of test chemical by the mass by volume method was observed to be 0.775 g/cm3 at room temperature of 28°C . This method is based upon the principle of calculating the mass per unit volume of liquid
Particle size distribution:
The particle size distribution (granulometry) of test chemical by the sieve analysis method was determine to be in the range of 53 micrometer to 150 micrometer. Majority of the particles were determine to be in the size more than 150 (47.15%) - 75 (38.34%) micrometer in size.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance at 25 deg C was 1.12E-08 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 28°C and pH 3.81, respectively. The log Pow value of test chemical was determined to be 0.301 dimensiomless at a temperature of 28°C and pH 3.81, respectively. On the basis of this value, test chemical is considered to be hydrophilic in nature.
Water solubility:
The experimental value of the water solubility of test chemical was obtained to be 3900 mg/L at 28 deg C and the value indicates that it the substance is soluble in water.
Solubility in organic solvents / fat solubility:
The experimental value related to the solubility of test chemical in petroleum ether at 28 deg C was obtained to be 1100 mg/L thus, indicating that this substance is soluble in petroleum ether.
The experimental value of solubility of test chemical in methanol at 28 deg C was determine to be 4000 mg/L indicating that this substance is soluble in methanol.
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 for the substance, test chemical as it is solid in character.
Flash point:
The experimental value of flash point of test chemical by the open cup method was observed to be 141 deg C at pressure 975 hPa.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 28 deg C and atmospheric pressure of 975 hPa. This indicates that the substance, test chemical is not auto-flammable in nature.
Flammability:
From the experimental values of flammability, test chemical ignited when the flame of bunsen burner having temperature of 950 deg C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 deg C. However since such high temperatures are not found under normal circumstances of transportation and use, test chemical was considered non-flammable in nature.
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 test chemical. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidizing properties:
According to redox titration considerations, test chemical do notpossess any oxidising property. So, it can be concluded that the substance is non oxidising in nature.
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:
1% by volume solution of test chemical was determine to exhibit a pH of 3.83 at 26 deg C. Thus 1% by volume solution of test chemical is acidic in character.
Dissociation constant:
The experimental pKa value for test chemical was determine to be 0.0000000007 ,0.000000001 ,0.000000000000175 at 28 deg C.
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 chemical is a solid substance and hence this testing was considered scientifically unjustified for test chemical.
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