Registration Dossier
Registration Dossier
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EC number: 200-665-9 | CAS number: 67-71-0
Endpoint summary
Administrative data
Description of key information
Appearance/physical state/colour
On the basis of physical observation and using the sense of smell, test chemicalwas observed to be an organic white crystalline solid powder.
Melting point/freezing point
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 determined to be 105.1-108.6°C at 976.1 hPa.
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 mean boiling point was determined to be 280.1°C at 975.2 hPa.
Density
The density of test chemical was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test item was determined to be 0.8211 g/cm³ and 0.8561 g/cm³at 28.5°C and 976 hPa.
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 observed to be in the range of 150 micron to 25 micron.
Vapour pressure
The Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 Program of EPI SUITE. The vapour pressure of test chemical was estimated to be 0.981 Pa at 25 degC.
Partition coefficient
Based on the available data from authoritative and modelling databases, the partition coefficient (log Pow) value of the test chemical was determined to be -1.41.
Water solubility
The water solubility determination of test chemical was done as per the OECD guideline 105 and by spectro photometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 186394.2735 mg/L at 30°C. Thus, it can be concluded that test chemical is highly soluble in water.
Surface tension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point
The flash point determination of test chemical was done by closed cup method using Pensky-Martens Flash Point Apparatus. The mean flash point of the test chemical was determined to be 139.3°C at 975.7 hPa.
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 the substance is not auto-flammable.
Flammability
The test chemical has NFPA Flammability rating reported to range between 0 to 1. This suggests low likelihood of the chemical being flammable. Hence this end point was considered for waiver & the chemical is classified as "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 since there are no chemical groups associated with explosive properties present in the molecule of chemical under test. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".
Oxidising properties
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 present in the molecule which are associated with oxidizing properties and hence , the classification procedure does not need to be applied. Therefore, the study is considered for waiver.
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 mean pH was determined to be 4.60 at 29 °C. This value indicates that the substance is acidic in nature.
Additional information
Appearance/physical state/colour
On the basis of physical observation and using the sense of smell, test chemicalwas observed to be an organic white crystalline solid powder.
The supporting study from reliable handbook and authoritative database also suggest that the test chemical was observed to be an organic crystalline odourless solid.
Melting point/freezing point
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 determined to be 105.1-108.6°C at 976.1 hPa.
Based on the data from other supporting study from various reliable sources such as handbooks and authoritative database, the melting point of test chemical was determined to be 109 °C which is in the range of key study value. Thus, for the purpose of chemical safety assessment we will consider the key study value which is reported as 105.1-108.6°C at 976.1 hPa.
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 mean boiling point was determined to be 280.1°C at 975.2 hPa.
Based on the data from other supporting study from various reliable sources such as handbooks, the boiling point of test chemical was observed to be 238 °C.
But, for the purpose of chemical safety assessment we will consider the key study value which is reported as 280.1 °C at 975.2 hPa.
Density
The density of test chemical was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test item was determined to be 0.8211 g/cm³ and 0.8561 g/cm³at 28.5°C and 976 hPa.
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 observed to be in the range of 150 micron to 25 micron.
Vapour pressure
The Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 Program of EPI SUITE. The vapour pressure of test chemical was estimated to be 0.981 Pa at 25 degC.
Partition coefficient
Based on the available data in a key study from authoritative and modelling databases, the partition coefficient (log Pow) value of the test chemical was determined to be -1.41.
Additional study from authoritative database indicates that the octanol water partition coefficient (log Pow) value of the test chemical was determined to be -1.34.
Thus, based on the available information, the logPow valueof the test chemical was determined to be ranges from -1.41 to -1.34, respectively. On the basis of this experimental 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 and by spectro photometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 186394.2735 mg/L at 30°C. Thus, it can be concluded that test chemical is highly soluble in water.
Based on the data from other supporting studies from various reliable sources such as handbook and authoritative database, the test chemial was found to be highly soluble (150000 mg/L) in water. Thus, for the purpose of chemical safety assessment we will consider the key study value which is reported as 186394.2735 at 30 deg C, also indicating that the substance is highly soluble in water.
Surface tension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point
The flash point determination of test chemical was done by closed cup method using Pensky-Martens Flash Point Apparatus. The mean flash point of the test chemical was determined to be 139.3°C at 975.7 hPa.
Based on the data from reliable handbook and authoritative database, the flash point of test chemical was observed to be 143 °C.
Thus, for the purpose of chemical safety assessment we will consider the key study value which is reported as 139.3°C at 975.7 hPa.
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 the substance is not auto-flammable.
Flammability
The test chemical has NFPA Flammability rating reported to range between 0 to 1. This suggests low likelihood of the chemical being flammable. Hence this end point was considered for waiver & the chemical is classified as "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 since there are no chemical groups associated with explosive properties present in the molecule of chemical under test. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".
Oxidising properties
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 present in the molecule which are associated with oxidizing properties and hence , the classification procedure does not need to be applied. Therefore, the study is considered for waiver.
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 mean pH was determined to be 4.60 at 29 °C. This value indicates that the substance is acidic in nature.
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