Registration Dossier
Registration Dossier
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EC number: 247-368-0 | CAS number: 25956-17-6
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 an organic red coloured powder.
Melting point/freezing point:
The melting point determination of Test chemical was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting Point (C) was determined to be 245.3°C at 977.3 hPa.
Boiling point:
The boiling point of test chemical by the distillation method was observed to be 310 deg C at an atmospheric pressure of 966 hPa.No decomposition was observed at the boiling point.
From other experimental study report, the boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. No string of bubbles were observed upto 300 deg C, inferring boiling point to be greater than 300°C at 977.8hPa.
Density:
The density of test chemical was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test substance was determined to be 0.4479 g/cm³ and 0.6066 g/cm³at 20°C and 976.8 hPa.
Particle size distribution:
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 106 micron to 25 micron.
Vapour pressure:
Vapour pressure of test chemical was estimated as 1.67E-021 Pa at 25°C by Modified Grain method.
Partition coefficient:
Based on the available data in a key study from study report, the partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 27°C and pH 8.53. The log Pow value was determined to be -1.283 at a temperature of 27°C and at pH 8.53.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of of test chemical in water was determined to be 53878 mg/L at 25°C. Hence, the test chemical was considered to be highly soluble in water.
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 study does not need to be conducted because flash point study is relevant to liquids and low melting solids. As test chemical is solid at room temperature having melting point at 245.3°C, this end point should be considered as waiver.
Auto-Flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966hPa. This indicates that test chemical is not auto-flammable.
Flammability:
Test chemical does not indicate any ignition when the flame of bunsen burner having temperature was brought in contact with it. Thus it can be concluded that test chemical was not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 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 it. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties:
Test chemical was observed to have mild oxidising property since 164.8 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
pH:
The pH determination of test chemical was done as per the test guideline OECD 122. The mean pH of the test solution was determined with the help of digital pH meter. The mean pH was determined to be 8.06 at 27 °C. Hence the test chemical was observed to be basic in nature.
Additional information
Appearance / physical state / colour:
On the basis of physical observation and using the sense of smell, test chemical was observed to be an organic red coloured powder.
From other experimental study report, test chemical was observed to be a Dark Maroon odourless organic solid powder at 27°C and 966hPa.
Melting point/freezing point:
The melting point determination of Test chemical was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting Point (C) was determined to be 245.3°C at 977.3 hPa.
From other experimental study report, the melting point of test chemical by the capillary method was determined to be 244°C at an atmospheric pressure of 966 hPa . There was no decomposition & sublimation observed.
Boiling point:
The boiling point of test chemical by the distillation method was observed to be 310 deg C at an atmospheric pressure of 966 hPa.No decomposition was observed at the boiling point.
From other experimental study report, the boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. No string of bubbles were observed upto 300 deg C, inferring boiling point to be greater than 300°C at 977.8hPa.
Density:
The density of test chemical was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test substance was determined to be 0.4479 g/cm³ and 0.6066 g/cm³at 20°C and 976.8 hPa.
Particle size distribution:
The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 106 micron to 25 micron.
Vapour pressure:
Vapour pressure of test chemical was estimated as 1.67E-021 Pa at 25°C by Modified Grain method.
Partition coefficient:
Based on the available data in a key study from study report, the partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 27°C and pH 8.53. The log Pow value was determined to be -1.283 at a temperature of 27°C and at pH 8.53.
Additional study from secondary source, authoritative and modelling databases indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be -0.55.
Thus, based on the available information, the logPow value of the test chemical ranges from -1.283 to -0.55, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of of test chemical in water was determined to be 53878 mg/L at 25°C.Hence, the test chemical was considered to be highly soluble in water.
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 study does not need to be conducted because flash point study is relevant to liquids and low melting solids. As test chemical is solid at room temperature having melting point at 245.3°C, this end point should be considered as waiver.
Auto-Flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 966hPa. This indicates that test chemical is not auto-flammable.
Flammability:
Test chemical does not indicate any ignition when the flame of bunsen burner having temperature was brought in contact with it. Thus it can be concluded that test chemical was not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 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 it. Thus, as per column 2 of Annex VII this end point was considered for waiver.
Oxidising properties:
Test chemical was observed to have mild oxidising property since 164.8 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
pH:
The pH determination of test chemical was done as per the test guideline OECD 122. The mean pH of the test solution was determined with the help of digital pH meter. The mean pH was determined to be 8.06 at 27 °C. Hence the test chemical was observed to be basic in nature.
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