Registration Dossier

Physical & Chemical properties

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 a light brown organic solid with no odour at 26ºC and 966 hPa.

Melting point:

The melting point of test chemical by the capillary method was determine to be >350 Deg C at an atmospheric pressure of 966 hPa.There was no decomposition & sublimation observed of test chemical at the melting point.

Boiling Point:

The study does not need to be conducted because the substance is a solid which melts above 300°C. The boiling point of the substance need not be conducted as the substance has melting point above 300 deg.C and decomposes before boiling and so as per the section 7.3 of Annex VII this end point can be waived.

Density:

The bulk density of test chemical by the mass by volume method was determine to be 0.681 g/cm3 at room temperature of 26 °C.

Particle size distribution:

The particle size distribution (granulometry) of test chemical by the sieve analysis method was determine to be in the range of 150 micrometer to 500 micrometer. Majority of the particles were observed to be in the size more than 180 (45.9%) micrometers in size.

Vapour pressure:

The estimated vapour pressure of test substance at 25 Deg C was 6.63E-09 hPa.

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 26°C and pH 3.33, respectively. The log Pow value of test chemical was determined to be 0.146 dimensiomless at a temperature of 26°C and pH 3.33, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.

Water solubility:

The experimental value of the water solubility of test chemical was determine to be 4000 mg/L at 26 deg C indicating that it is soluble in water.

From this solubility value it is concluded that soluble in water.

Solubility in organic solvents / fat solubility:

The experimental value of solubility of test chemical in Petroleum ether at 26 Deg C was determine to be 40 mg/L indicating that this substance is slightly soluble in petroleum ether.

The experimental value of solubility of test chemical in ethanol at 26 Deg C was determine to be 3000 mg/L indicating that this substance is soluble in ethanol.

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:

Test substance by the closed cup method at 966 hPa was observed to be non flammable.

Auto flammability:

Test chemical did not catch fire on being exposed to air at room temperature of 26 Deg C and atmospheric pressure of 966 hPa. This indicates that test chemical is not auto-flammable.

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

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:

Test chemical was observed to have oxidising property since 90.3 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

Stability in organic solvents and identity of relevant degradation products:

Test chemical was observed to be unstable in organic solvent dichloro methane and 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 1.77 at 25 Deg C. Thus 1% by volume solution of test chemical is acidic in nature.

Dissociation constant:

The experimental pKa value for test chemical was observed to be 0.00483, 0.00485, 0.0048 at 27 Deg C indicating that it has dissociation properties.

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 a light brown organic solid with no odour at 26ºC and 966 hPa.

From other sources test chemical physically appear as a light brown to light violet coloured odorless organic powder.

Melting point:

The melting point of test chemical by the capillary method was determine to be >350 Deg C at an atmospheric pressure of 966 hPa.There was no decomposition & sublimation observed of test chemical at the melting point.

From other reliable sources melting point of test chemical was determine to be >=297 - <=300°C.

Boiling Point:

The study does not need to be conducted because the substance is a solid which melts above 300°C. The boiling point of the substance need not be conducted as the substance has melting point above 300 deg.C and decomposes before boiling and so as per the section 7.3 of Annex VII this end point can be waived.

Density:

The bulk density of test chemical by the mass by volume method was determine to be 0.681 g/cm3 at room temperature of 26 °C.

Particle size distribution:

The particle size distribution (granulometry) of test chemical by the sieve analysis method was determine to be in the range of 150 micrometer to 500 micrometer. Majority of the particles were observed to be in the size more than 180 (45.9%) micrometers in size.

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of test substance using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of test substance at 25 Deg C was 6.63E-09 hPa.

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 26°C and pH 3.33, respectively. The log Pow value of test chemical was determined to be 0.146 dimensiomless at a temperature of 26°C and pH 3.33, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.

Water solubility:

The experimental value of the water solubility of test chemical was determine to be 4000 mg/L at 26 deg C indicating that it is soluble in water.

From this solubility value it is concluded that soluble in water.

Solubility in organic solvents / fat solubility:

The experimental value of solubility of test chemical in Petroleum ether at 26 Deg C was determine to be 40 mg/L indicating that this substance is slightly soluble in petroleum ether.

The experimental value of solubility of test chemical in ethanol at 26 Deg C was determine to be 3000 mg/L indicating that this substance is soluble in ethanol.

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:

Test substance by the closed cup method at 966 hPa was observed to be non flammable.

Auto flammability:

Test chemical did not catch fire on being exposed to air at room temperature of 26 Deg C and atmospheric pressure of 966 hPa. This indicates that test chemical is not auto-flammable.

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

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:

Test chemical was observed to have oxidising property since 90.3 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

Stability in organic solvents and identity of relevant degradation products:

Test chemical was observed to be unstable in organic solvent dichloro methane and 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 1.77 at 25 Deg C. Thus 1% by volume solution of test chemical is acidic in nature.

Dissociation constant:

The experimental pKa value for test chemical was observed to be 0.00483, 0.00485, 0.0048 at 27 Deg C indicating that it has dissociation properties.

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.