Registration Dossier
Registration Dossier
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EC number: 200-068-3 | CAS number: 50-85-1
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of visual perceptual property, test chemical was observed to be organic crystalline solid in appearance.
Melting point:
Based on the data obtained from the various reliable sources, the melting point of test chemical was observed to be 177 °C.
Boiling point:
Based on the data obtained from the reliable handbook, the boiling point of test chemical was determined to be 234.6 °C.
Density:
Based on the available data from reliable handbook, the density of test chemical was determine to be 1.2143 g/cm3 at 25 °C.
Particle size distribution (Granulometry):
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 53 micron.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of test chemicals at 25 °C was 0.00113 Pa.
Partition coefficient:
Based on the data obtained from the various reliable sources, the partition coefficient (log Pow) value of the test chemical was determined to be 2.99 which indicates that the test chemical was hydrophilic in nature.
Water solubility:
Based on available data from handbook and authoritative databases, the solubility of test chemical in water was determined to be 10100.0 mg/L at 100°C. This value indicates that the test chemical was very soluble in water.
Surface tension:
Based on the data obtained from predicted source, the surface tension for test chemical was predicted to be 0.0580 N/m.
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 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.
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.
Additional information
Appearance:
On the basis of visual perceptual property, test chemical was observed to be organic crystalline solid in appearance.
Based on the data obtained from the various reliable sources, test chemical observed to be organic solid crystalline leaflets in appearance.
Based on the data obtained from the reliable authoritative databases, test chemical was observed to be beige (a pale sandy fawn colour) solid powder in appearance.
Melting point:
Based on the data obtained from the various reliable sources, the melting point of test chemical was observed to be 177 °C.
Based on the data obtained from the various reliable handbooks, the melting point of test chemical was observed to be at 177.8 °C.
Based on the data obtained from the authoritative database, the melting point of test chemical was determined to be in the range of 173°C to 177°C.
Thus, based on the above results, melting point of test chemical ranges from 173°C to 177.8 °C.
Boiling point:
Based on the data obtained from the reliable handbook, the boiling point of test chemical was determined to be 234.6 °C.
Density:
Based on the available data from reliable handbook, the density of test chemical was determine to be 1.2143 g/cm3 at 25 °C.
Based on the data obtained from the reliable source, the density of test chemical was determined to be 1.2172 g/cm3 at 47.17 °C.
Thus, on the basis of above data, density of test chemical ranges from 1.2143 g/cm3 to 1.2172 g/cm3.
Particle size distribution (Granulometry):
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 53 micron.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of test chemicals at 25 °C was 0.00113 Pa.
Based on available data from authoritative databases, the vapour pressure of test chemical was estimated to be 0.006852 Pa at 25 °C.
Thus on the basis of above result, the vapour pressure of test chemical ranges from 0.00113 Pa to 0.006852 Pa at 25 °C.
Partition coefficient:
Summarized result for the determination of partition coefficient of test chemical are asw mentioned below:
Based on the data obtained from the various reliable sources, the partition coefficient (log Pow) value of the test chemical was determined to be 2.99 which indicates that the test chemical was hydrophilic in nature.
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test chemical. The partition coefficient value of the test chemical was estimated to be 2.79. Based on the estimated value, the test chemical can be considered hydrophillic in nature, which is also supported by the test chemical water solubility range.
Thus based on the above data, partition coefficient value ranges from 2.79 to 2.99.
Water solubility:
Based on available data from handbook and authoritative databases, the solubility of test chemical in water was determined to be 10100.0 mg/L at 100°C. This value indicates that the test chemical was very soluble in water.
Surface tension:
Based on the data obtained from predicted source, the surface tension for test chemical was predicted to be 0.0580 N/m.
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 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.
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.
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