Registration Dossier
Registration Dossier
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EC number: 240-474-8 | CAS number: 16423-68-0
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of visual perceptual property, test chemical was observed to be organic dark red solid powder in appearance.
Melting 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 substance starts decomposing at 250°C with colour change from dark red to black and decomposition completes at 315°C at 978.5 hPa.
Boiling point:
The test does not need to be conducted because the test chemical is a solid which melts above 300°C.
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 chemical was determined to be 0.6250 g/cm³ and 0.7308 g/cm³ at 30.1°C and 975.5 hPa.
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 determined to be in the range of 150 micron to 10 micron.
Vapour pressure:
The vapour pressure of the test chemical is estimated to be 8.49e-023 mm Hg at 25 °C which is equal to 1.131e-20 Pa.
Partition coefficient:
Partition coefficient: Based on the key study from study report, the partition coefficient (Pow) of test chemical at 25°C was determined according to the OECD Guideline No. 107, ”Shake Flask Method”. In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.163 ± 0.264 at 25°C. On the basis of log Pow value, it can be concluded that the test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.
Water solubility:
The water solubility determination of test chemical was done as per the spectrophotometric method. The solubility of test chemical in water was determined to be 79787 mg/L at 30°C, which indicates that the test chemical was very soluble in water.
Surface tension:
The study does not need to be conducted, since surface activity is not a desired property of the test chemical.
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 chemical did not catch fire on being exposed to air at room temperature of 27°C at pressure of 966 hPa. 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 of approximately 950°C is brought in contact with it. Thus it can be concluded that test chemical is 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 as 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:
The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test chemical was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. pH of 1% w/v aqueous solution of the test chemical was 6.4 at 30.3°C, which indicates that the test chemical was acidic in nature.
Additional information
Appearance:
On the basis of visual perceptual property, test chemical was observed to be organic dark red solid powder in appearance.
Based on the data obtained from various reliable sources, test chemical was observed to be organic solid present in the form of brown powder.
Based on the data obtained from the reliable handbook, test chemical was observed to be red to brown organic powder in appearance.
Based on the data obtained from the reliable handbook, test chemical was observed to be solid red organic powder in appearance with no odour.
Melting 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 substance starts decomposing at 250°C with colour change from dark red to black and decomposition completes at 315°C at 978.5 hPa.
Based on the data obtained from the various reliable sources, the melting point of test chemical was determined to be >250°C.
Thus based on the above studies, the melting point ranges from > 250 °C to 315 °C.
Boiling point:
The test does not need to be conducted because the test chemical is a solid which melts above 300°C.
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 chemical was determined to be 0.6250 g/cm³ and 0.7308 g/cm³ at 30.1°C and 975.5 hPa.
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 determined to be in the range of 150 micron to 10 micron.
Vapour pressure:
The vapour pressure of the test chemical is estimated to be 8.49e-023 mm Hg at 25 °C which is equal to 1.131e-20 Pa.
Partition coefficient:
Partition coefficient: Based on the key study from study report, the partition coefficient (Pow) of test chemical at 25°C was determined according to the OECD Guideline No. 107, ”Shake Flask Method”. In this method the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.163 ± 0.264 at 25°C. On the basis of log Pow value, it can be concluded that the test chemical is hydrophilic in nature and it is also supported by high water solubility of test chemical in water.
Based on the data obtained from the authoritative database, the partition coefficient log Pow value of the test chemical was determined to be -0.05.
On the basis of data obtained from the secondary source, the partition coefficient i.e. log Pow value of the test chemical was determined to be -0.29.
Thus, based on the available information, the log Pow value of the test chemical was determined to be ranges from -0.05 to -1.163. 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 spectrophotometric method. The solubility of test chemical in water was determined to be 79787 mg/L at 30°C, which indicates that the test chemical was very soluble in water.
Based on the data obtained from the authoritative database, the water solubility value of test chemical was determined to be 90000 mg/l at 25°C.
Based on the data obtained from the various reliable sources, the test chemical was observed to be highly soluble in water.
Based on the data obtained from the secondary source, the water solubility of test chemical was determined to be 70000 mg/l at 20°C. This value indicates that the test chemical is very soluble in water.
Thus on the basis of above data, it was observed that the water solubility of test chemical ranges from 70000 mg/l to 90000 mg/l.
Surface tension:
The study does not need to be conducted, since surface activity is not a desired property of the test chemical.
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 chemical did not catch fire on being exposed to air at room temperature of 27°C at pressure of 966 hPa. 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 of approximately 950°C is brought in contact with it. Thus it can be concluded that test chemical is 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 as 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:
The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test chemical was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. pH of 1% w/v aqueous solution of the test chemical was 6.4 at 30.3°C, which indicates that the test chemical was acidic in nature.
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