Registration Dossier
Registration Dossier
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EC number: 281-889-4 | CAS number: 84057-71-6
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of physical observation, the appearance of test chemical was observed to be solid black powder.
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 102. The method followed was according to Capillary/metal block. The test was conducted in replicates. No change was observed in state of test chemical upto 300°C, and thus, melting temperature was inferred to be > 300°C at 977.0 hPa
Boiling Point
The study does not need to be conducted because the substance is a solid which melts above 300°C.
Density
Based on the available data from study report,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 0.6561 g/cm³ and 0.7694 g/cm³ at 20°C and 979 hPa.
Particle size distribution
On the basis of 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 25 micron.
Vapour pressure
Based on the available data from modelling database, modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI suite. The vapour pressure of test chemical was estimated to be 1.679E-42 Pa (1.26E-44 mmHg) at 25°C.
Partition coefficient
Based on the available data from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4 -Dichloro benzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 0.847± 0.083 at 25°C.On the basis of this value, the test chemical was considered to be hydrophilic in nature.
Water solubility
Based on the available data from study report,thewater solubility determination of test chemical was done as per the OECD Guideline 105 (Water Solubility) and by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 62384 mg/l at 25±2°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
Testing for this end pointis technically not feasible and 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 pressure of 962 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
The study does not need to be conducted because the substance is a solid.
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 dispersion was determined with the help of digital pH meter. The mean pH was determined to be 5.62 at 23.8°C. Thus, test chemical is considered to be acidic in nature.
Additional information
Appearance
On the basis of physical observation, the appearance of test chemical was observed to be solid black powder.
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 102. The method followed was according to Capillary/metal block. The test was conducted in replicates. No change was observed in state of test chemical upto 300°C, and thus, melting temperature was inferred to be > 300°C at 977.0 hPa
Boiling Point
The study does not need to be conducted because the substance is a solid which melts above 300°C.
Density
Based on the available data from study report,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 0.6561 g/cm³ and 0.7694 g/cm³ at 20°C and 979 hPa.
Particle size distribution
On the basis of 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 25 micron.
Vapour pressure
Based on the available data from modelling database, modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI suite. The vapour pressure of test chemical was estimated to be 1.679E-42 Pa (1.26E-44 mmHg) at 25°C.
Partition coefficient
Based on the available data from study report, the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.0. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were Butanone, 4-Acetylpyridine, Acetanilide, Benzyl alcohol, 4-Methoxyphenol, Phenoxyacetic acid, Phenol, 4-Methylbenzyl alcohol, Acetophenone, 2-Nitrophenol, Nitrobenzene, Cinnamyl alcohol, Benzene, Methyl benzoate, Cinnamic Acid, Toluene, 2,6-Dichlorobenzonitrile, Chlorobenzene, 2,3-Dichloroaniline, Allyl phenyl ether, Bromobenzene, Benzophenone, Ethylbenzene, 1,4 -Dichloro benzene, Diphenylamine, Naphthalene, Biphenyl, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Dodecanoic acid, Diphenyl ether, n-Butylbenzene, DDT, having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 0.847± 0.083 at 25°C.On the basis of this value, the test chemical was considered to be hydrophilic in nature.
Water solubility
Based on the available data from study report,thewater solubility determination of test chemical was done as per the OECD Guideline 105 (Water Solubility) and by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 62384 mg/l at 25±2°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
Testing for this end pointis technically not feasible and 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 pressure of 962 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
The study does not need to be conducted because the substance is a solid.
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 dispersion was determined with the help of digital pH meter. The mean pH was determined to be 5.62 at 23.8°C. Thus, test chemical is considered to be acidic in nature.
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