Registration Dossier
Registration Dossier
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EC number: 201-662-5 | CAS number: 86-29-3
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of available data from study report,the appearance of test chemical was observed to be a white powder.
Melting point
Based on the available data from study report,the melting point of test chemical was determined. The study was performed in accordance with the OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean melting point of the test chemical was determined to be in the range between 65.5 to 71.1°C at 97690 Pa.
Boiling Point
Based on the available data from handbooks and authoritative database, the boiling point of test chemical was determined to be 181°C at 1600 Pa.
Density
Based on the 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 adapted from ASTM D 854-02 using glass pyknometer. The mean density of the test chemical was determined to be 0.8587 g/cm³ at 20°C and 978.1 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 75 micron.
Vapour pressure
On the basis of the available data from handbook and authoritative databases, the vapour pressure of test chemical was estimated to be 0.01359 Pa 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 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 6.85. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Benzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 2.7589 ± 0.002 at 25°C.
Water solubility
Based on the available data from handbook and authoritative databases, the water solubility of the test chemical was determined to be 220 mg/l. On the basis of this value, test chemical is considered to be moderately soluble in water.
Surface tension
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end point is scientifically not necessary and does not need to be conducted because surface activity is not a desired property of the material.
Flash point
Based on the available data from study report, the flash point of test chemical was determined. The study was performed following the closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test chemical was determined to be 118.6°C at 98110 Pa.
Auto flammability
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 962hPa. 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 at high temperature.
Explosiveness
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end point is scientifically not necessary and 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 does not contain oxygen or halogen atoms, and hence, the classification procedure does not need to be applied.
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 5.96 at 29°C. Thus, test chemical is considered to be acidic in nature.
Additional information
Appearance
On the basis of available data from study report,the appearance of test chemical was observed to be a white powder.
In a supporting study fromhandbooks, the appearance of test chemical was observed as solid.
Additional study from authoritative database and secondary source indicates the appearance of test chemical as white solid.
Melting point
Based on the available data from study report,the melting point of test chemical was determined. The study was performed in accordance with the OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean melting point of the test chemical was determined to be in the range between 65.5 to 71.1°C at 97690 Pa.
Additional study from handbooks and authoritative databases indicates that the melting point of test chemical as 74.3°C.
In a supporting study fromhandbooks,the melting point of test chemical was determined to be ranges from 73 to 76°C.
Boiling Point
Based on the available data from handbooks and authoritative database, the boiling point of test chemical was determined to be 181°C at 1600 Pa.
Additional study from handbooks indicates the boiling point of test chemical as 184°C at 2133.157 Pa.
In a supporting study from secondary source, the boiling point of test chemical was determined to be 182 to 184°C at 1466.55 Pa.
Density
Based on the 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 adapted from ASTM D 854-02 using glass pyknometer. The mean density of the test chemical was determined to be 0.8587 g/cm³ at 20°C and 978.1 hPa.
In a supporting study fromhandbook,the density of the test chemical was determined to be 1.1118 g/cm3 at 25°C.
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 75 micron.
Vapour pressure
On the basis of the available data from handbook and authoritative databases, the vapour pressure of test chemical was estimated to be 0.01359 Pa at 25°C.
Additional study from modelling databases indicates that the estimated vapour pressure of test chemical as 0.0152 Pa at 25°C by Modified Grain Method.
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 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 6.85. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared .The reference substances were Benzene, Biphenyl, 4-Acetylpyridine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 2.7589 ± 0.002 at 25°C.
Additional study from handbook and authoritative databases indicates that the partition coefficient of the test chemical was estimated to be 3.2.
Water solubility
Based on the available data from handbook and authoritative databases, the water solubility of the test chemical was determined to be 220 mg/l. On the basis of this value, test chemical is considered to be moderately soluble in water.
Surface tension
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end point is scientifically not necessary and does not need to be conducted because surface activity is not a desired property of the material.
Flash point
Based on the available data from study report, the flash point of test chemical was determined. The study was performed following the closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test chemical was determined to be 118.6°C at 98110 Pa.
In a supporting study from handbook, the flash point of test chemical was determined to be > 94°C.
Thus, on the basis of criteria mentioned in CLP regulation, the chemical has flash point > 60°C hence the substance was considered to be not flammable.
Auto flammability
Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 962hPa. 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 at high temperature.
Explosiveness
In accordance with column 2 of Annex VII of the REACH regulation, testing for this end point is scientifically not necessary and 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 does not contain oxygen or halogen atoms, and hence, the classification procedure does not need to be applied.
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 5.96 at 29°C. Thus, test chemical is considered to be acidic in nature.
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