Registration Dossier
Registration Dossier
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EC number: 201-803-0 | CAS number: 88-14-2
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of physical observation, test chemical was observed to be a white powder.
Melting point
Based on the 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 mean melting temperature range was determine to be 125.8-128.8°C at 970.0 hPa.
Boiling Point
Based on the data from handbooks, the boiling point of test chemical was determined to be in the range of 230 to 232°C, respectively.
Density
In an experimental study from study report, the density of test chemical was determined following OECD Guideline 109 and according to the test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus. The mean pour density and tapped density of test chemical was determined to be 0.6591 g/cm³ and 0.7730 g/cm³at 26.2°C and 969.8 hPa.
Particle size distribution
On the basis of 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 53 micron.
Vapour pressure
Based on the available data from handbook and authoritative database, the vapour pressure of test chemical was estimated to be 0.103 mmHg (13.732 Pa) at 25°C.
Partition coefficient
In an experimental study from study report,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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 4.7. 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, Acetophenone, Benzophenone, 4 -Methoxyphenol, Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate. 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, 2,3-Dichloroaniline, 4 -Acetylpyridine, Acetanilide, 2 -Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, DDT, Naphthalene, Diphenyl ether, Allyl phenyl ether having Pow value ranging from 0.3 to 6.5. The Log Pow value of the test chemical was determined to be 0.628 ± 0.021 at 25°C.
Water solubility
Based on the data from reliable sources, the water solubility of test chemical was determined to be 37100 mg/l at 15°C. Based on 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.
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 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 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
On the basis of 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 2.04 at 26.4°C. Thus, test chemical was considered to be acidic in nature.
Additional information
Appearance
On the basis of physical observation, test chemical was observed to be a white powder.
In a supporting study from authoritative database, the appearance of test chemical was observed to be solid.
Melting point
Based on the 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 mean melting temperature range was determine to be 125.8-128.8°C at 970.0 hPa.
In a supporting study from handbook, the melting point of test chemical was determined to be 129.5°C.
On the basis of available data, the melting point of test chemical was determined to be 130°C.
Additional study from reliable sources indicates the melting point of test chemical was determined to be in the range of 133 to 134°C.
In a supporting study, the melting point of test chemical was determined to be 133°C.
Boiling Point
Based on the data from handbooks, the boiling point of test chemical was determined to be in the range of 230 to 232°C, respectively.
Additional study from reliable sources indicates the boiling point of test chemical as 231°C.
Density
In an experimental study from study report, the density of test chemical was determined following OECD Guideline 109 and according to the test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus. The mean pour density and tapped density of test chemical was determined to be 0.6591 g/cm³ and 0.7730 g/cm³at 26.2°C and 969.8 hPa.
Particle size distribution
On the basis of 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 53 micron.
Vapour pressure
Based on the available data from handbook and authoritative database, the vapour pressure of test chemical was estimated to be 0.103 mmHg (13.732 Pa) at 25°C.
Partition coefficient
In an experimental study from study report,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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 4.7. 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, Acetophenone, Benzophenone, 4 -Methoxyphenol, Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate. 1,4-Dichlorobenzene, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, 2,3-Dichloroaniline, 4 -Acetylpyridine, Acetanilide, 2 -Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, DDT, Naphthalene, Diphenyl ether, Allyl phenyl ether having Pow value ranging from 0.3 to 6.5. The Log Pow value of the test chemical was determined to be 0.628 ± 0.021 at 25°C.
Additional study from reliable sources indicates the partition coefficient (log Pow) value of the test chemical as 0.64.
On the basis of data from handbook, the partition coefficient value of test chemical was calculated to be 0.60.
From modelling database, the partition coefficient value of test chemical was estimated to be 1.639±0.302 at 25°C.
Thus, on the basis of above values, test chemical was considered to be hydrophilic in nature.
Water solubility
Based on the data from reliable sources, the water solubility of test chemical was determined to be 37100 mg/l at 15°C. Based on this value, test chemical was considered to be very soluble in water.
Additional study from handbook indicates the water solubility of the test chemical as 35700 mg/l at 15°C.
In a supporting study from secondary source, the water solubility of test chemical was determined to be 36000 mg/l at 20°C.
Thus, on the basis of available information, 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.
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 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 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
On the basis of 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 2.04 at 26.4°C. Thus, test chemical was considered to be acidic in nature.
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