Registration Dossier
Registration Dossier
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EC number: 610-522-6 | CAS number: 503155-49-5
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of physical observation, the appearance of test chemical was observed to be black powder with reddish tinge.
Melting point
Based on the available data from study report, the melting point determination of test chemical was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and it was observed that the substance decomposes before melting. Hence, mean decomposition temperature was determined to be 161.3°C at 96430 Pa.
Boiling Point
The study does not need to be conducted because chemical changes occurred during melting point study.
Density
On the basis of available data from study report, the density of test chemical was determined following OECD Guideline 109 (Density of Liquids and Solids) 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 0.4882 g/cm³ and 0.7419 g/cm³ at 25°C and 964.65 hPa.
Particle size distribution
Based on the available data from study report, 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 150 micron to 106 micron.
Vapour pressure
Based on the available data from modelling database,Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI Suite. The vapour pressure of the test chemical was estimated to be 6.79E-42 mm Hg (9.052E-40 Pa) at 25°C.
Partition coefficient
On the basis of the available data from modelling database,KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test chemical. The estimated partition coefficient (logPow) of the test chemical was evaluated to be - 3.5 at 25°C. Based on this value, test chemical was considered to be hydrophilic in nature.
Water solubility
Based on the available data from study report, the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 104697 mg/L at 25°C. On the basis of this value, test chemical was considered to be very soluble in water.
Surface tension
The study does not need to be conducted because surface activity is not a desired property of the material.
Flash point
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.
Also, the study does not need to be conducted because decomposition occurred during melting point study.
Auto flammability
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 964 hPa. This indicates that the 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.
Explosiveness
The study does not need to be conducted because the there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidizing properties
Test chemical was not observed to have oxidising property since 402 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
pH
Based on the available data from study report,the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test chemical solution was determined with the help of digital pH meter. The mean pH was determined to be 4.4 at 26.3°C. Thus, test chemical was considered to be acidic in nature.
Additional information
Appearance
On the basis of physical observation, the appearance of test chemical was observed to be black powder with reddish tinge.
Melting point
Based on the available data from study report, the melting point determination of test chemical was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and it was observed that the substance decomposes before melting. Hence, mean decomposition temperature was determined to be 161.3°C at 96430 Pa.
Boiling Point
The study does not need to be conducted because chemical changes occurred during melting point study.
Density
On the basis of available data from study report, the density of test chemical was determined following OECD Guideline 109 (Density of Liquids and Solids) 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 0.4882 g/cm³ and 0.7419 g/cm³ at 25°C and 964.65 hPa.
Particle size distribution
Based on the available data from study report, 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 150 micron to 106 micron.
Vapour pressure
Based on the available data from modelling database,Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI Suite. The vapour pressure of the test chemical was estimated to be 6.79E-42 mm Hg (9.052E-40 Pa) at 25°C.
Partition coefficient
On the basis of the available data from modelling database,KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test chemical. The estimated partition coefficient (logPow) of the test chemical was evaluated to be - 3.5 at 25°C. Based on this value, test chemical was considered to be hydrophilic in nature.
Water solubility
Based on the available data from study report, the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 104697 mg/L at 25°C. On the basis of this value, test chemical was considered to be very soluble in water.
Surface tension
The study does not need to be conducted because surface activity is not a desired property of the material.
Flash point
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.
Also, the study does not need to be conducted because decomposition occurred during melting point study.
Auto flammability
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 964 hPa. This indicates that the 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.
Explosiveness
The study does not need to be conducted because the there are no chemical groups present in the molecule which are associated with explosive properties.
Oxidizing properties
Test chemical was not observed to have oxidising property since 402 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.
pH
Based on the available data from study report,the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test chemical solution was determined with the help of digital pH meter. The mean pH was determined to be 4.4 at 26.3°C. Thus, test chemical was considered to be acidic in nature.
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