Registration Dossier
Registration Dossier
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EC number: 201-714-7 | CAS number: 86-98-6
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of visual perceptual property, test chemical was observed to be pale cream colored organic solid powder in appearance.
Melting point:
The melting point determination of test chemical was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and the mean melting temperature of test chemical was determined to be in the range of 85-88.3°C at 969.3hPa.
Boiling point:
The boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be greater than 300 °C at 967.4 hPa.
Density:
The density of test chemical was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using pyknometer. The mean density of the test chemical was determined to be 1.3122 g/cm³ at 20°C and 971.4 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 150 micron to 106 micron.
Vapour pressure:
Based on the data obtained from various reliable sources, the vapour pressure of test chemical was estimated to be 0.1026 Pa at 25 °.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic 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 4.1. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were Phenol, Benzene, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, 2-Nitrophenol, Nitrobenzene having Pow value ranging from 1.5 to 4.2. The Log Pow value was determined to be 3.193 ± 0.001 dimensionless at 25°.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 37 mg/L at 25°C. Hence the test chemical was considered to be slightly soluble in water.
Surface tension:
Based on the data obtained from various predicted databases, the surface tension of test chemical was predicted to be 51.6 ± 3.0 dyne/cm.
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 pressure of 966 hPa. This indicates that the test chemical was 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 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 to be non-flammable for chemical safety assessment.
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.
Oxidising 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 solution was determined with the help of digital pH meter. The pH of 1% w/v solution of the test chemical was determined to be 3.86 at 24.9 °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 pale cream colored organic solid powder in appearance.
Melting point:
The melting point determination of test chemical was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and the mean melting temperature of test chemical was determined to be in the range of 85-88.3°C at 969.3hPa.
Based on the data obtained from various reliable sources, the melting point of test chemical was observed to be 93 °C.
Thus based on the above studies, the melting point of test chemical was ranges from 85°C to 93 °C.
Boiling point:
The boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be greater than 300 °C at 967.4 hPa.
Density:
The density of test chemical was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using pyknometer. The mean density of the test chemical was determined to be 1.3122 g/cm³ at 20°C and 971.4 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 150 micron to 106 micron.
Vapour pressure:
Based on the data obtained from various reliable sources, the vapour pressure of test chemical was estimated to be 0.1026 Pa at 25 °.
Based on the data obtained from modelling databases, the vapour pressure of test chemical was estimated to be 0.081 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic 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 4.1. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were Phenol, Benzene, 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, 2-Nitrophenol, Nitrobenzene having Pow value ranging from 1.5 to 4.2. The Log Pow value was determined to be 3.193 ± 0.001 dimensionless at 25°.
Based on the data obtained from various reliable sources, the octanol-water partition coefficient (log Pow) of the test chemical was determined to be 3.57.
Thus based on the above data, the log Pow was ranges from 3.193 to 3.57.
Water solubility:
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 37 mg/L at 25°C. Hence the test chemical was considered to be slightly soluble in water.
Surface tension:
Based on the data obtained from various predicted databases, the surface tension of test chemical was predicted to be 51.6 ± 3.0 dyne/cm.
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 pressure of 966 hPa. This indicates that the test chemical was 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 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 to be non-flammable for chemical safety assessment.
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.
Oxidising 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 solution was determined with the help of digital pH meter. The pH of 1% w/v solution of the test chemical was determined to be 3.86 at 24.9 °C, which indicates that the test chemical was acidic in nature.
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