Registration Dossier
Registration Dossier
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EC number: 202-208-9 | CAS number: 93-00-5
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of visual perceptual/olfactoy factory observation, the test chemical was observed to be a white crystalline organic substance.
Melting point/ freezing point
The melting point determination of test chemical was performed as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The test item decomposes with colour change from white to black at 346.6 °C. The mean decomposition point was observed to be 346.66 °C at 967.7 hPa.
Boiling point
The study does not need to be conducted because chemical changes occured during melting point, as the test chemical decomposes with colour change from white to black . Hence the endpoint was considered for waiver.
Density
The density of test chemical was determined following OECD guideline 109 and according to the method adapted from ASTMD 854-02. The mean density of the test chemical was determined to be 1.553 g/cm3 at 20° C and 964.5 hPa.
Particle size distribution
The particle size distribution of test item chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was found to be in the range of 150 micron to 75 micron.
Vapour pressure
The Modified Grain method was used to estimate the vapour pressure of test chemical by using MPBPVP v1.43 Program of EPI SUITE. The vapour pressure of test chemical was estimated to be 0.0000000701 Pa(7.01E-008 Pa) at 25 degC.
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 item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 4.93. 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 0.6032 ± 0.005 at 25°C. Based on this value, it can be concluded that test chemical is hydrophilic in nature.
Water solubility
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectro photometric analytical method as per OECD 101. The solubility in water was determined to be 729.93 mg/L at 28°C. Thus, it can be concluded that test chemical is moderately soluble in water.
Surface Tension
In accordance with Column 2 adaptation statement of REACH Annex VII, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point
The study does not need to be conducted because decomposition occured during the melting point study
Auto Flammability
The test chemical did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that it is non auto-flammable.
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Flammability
The test substance 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. 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
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted because there are no chemical groups associated with explosive properties present in the molecule of test chemical. Thus, this end point was considered for waiver and hence the chemical is considered to be "non explosive" for chemical safety assessment.
Oxidising properties
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH
The pH determination of test chemical was done following OECD guideline 122. The mean pH of 1% w/v dispersion was measured with the help of digital pH meter. The mean pH was determined to be 3.63 at 29 °C. This value indicates that the substance is acidic in nature.
Additional information
Appearance
On the basis of visual perceptual/olfactoy factory observation, the test chemical was observed to be a white crystalline organic substance.
Other supporting studies from various reliable sources such as authoritative databases, also suggests that test chemical was observed to be awhite crystalline/dry powdered organic substance.
Melting point/ freezing point
The melting point determination of test chemical was performed as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The test item decomposes with colour change from white to black at 346.6 °C. The mean decomposition point was observed to be 346.66 °C at 967.7 hPa.
From other reliable sources like authoritative database, it has been observed that the test chemical decomposes when heated.
Boiling point
The study does not need to be conducted because chemical changes occured during melting point, as the test chemical decomposes with colour change from white to black. Hence the endpoint was considered for waiver.
Density
The density of test chemical was determined following OECD guideline 109 and according to the method adapted from ASTMD 854-02. The mean density of the test chemical was determined to be 1.553 g/cm3 at 20° C and 964.5 hPa.
Other supporting studies from various reliable sources such as handbook also suggests that, the density oftest chemical was observed to be 1.3556 g/cm3 at 25 °C.
As the data from lab has K1 reliability and the test was performed using OECD guideline which has the value of density as 1.553 g/cm3 at 20°C and 964.5 hPa, thus considered as key study for the chemical safety assessment.
Particle size distribution
The particle size distribution of test item chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was found to be in the range of 150 micron to 75 micron.
Vapour pressure
The Modified Grain method was used to estimate the vapour pressure of test chemical by using MPBPVP v1.43 Program of EPI SUITE. The vapour pressure of test chemical was estimated to be 0.0000000701 Pa(7.01E-008 Pa) at 25 degC.
Partition coefficient
Based on the available data in a key 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 item solution was prepared by accurately weighing 5 mg of test item and diluted with ACN up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 4.93. 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 0.6032 ± 0.005 at 25°C.
Additional study from authoritative and modelling databases indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be -0.91 at 25°C.
Thus, based on the available information, the logPow valueof the test chemical ranges from -0.91 to 0.6, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility
The water solubility determination of test chemical was done as per the OECD guideline 105 by spectro photometric analytical method as per OECD 101. The solubility in water was determined to be 729.93 mg/L at 28°C. Thus, it can be concluded that test chemical is moderately soluble in water.
Other supporting studies from authoritative database indicates the solubility of test chemical in water as 120 mg/L at 20 degC.
Also from other reliable sources, solubility of water was determined to be 759.04 mg / L, which is near and supports the kay value indicating that test chemical is moderately soluble in water
Surface Tension
In accordance with Column 2 adaptation statement of REACH Annex VII, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point
The study does not need to be conducted because decomposition occured during the melting point study
Auto Flammability
The test chemical did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that it is non auto-flammable.
Flammability
The test substance 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. 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
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted because there are no chemical groups associated with explosive properties present in the molecule of test chemical. Thus, this end point was considered for waiver and hence the chemical is considered to be "non explosive" for chemical safety assessment.
Oxidising properties
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH
The pH determination of test chemical was done following OECD guideline 122. The mean pH of 1% w/v dispersion was measured with the help of digital pH meter. The mean pH was determined to be 3.63 at 29 °C. This value indicates that the substance is acidic in nature.
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