Registration Dossier
Registration Dossier
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EC number: 204-485-1 | CAS number: 121-60-8
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 white crystalline powder.
Melting point
Based on the available data from study report, the melting point determination of test chemical was done as per the test guideline 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 was determined to be in the range of 146°C to 148.5°C at 97450 Pa.
Boiling Point
On the basis of datafrom study report,the boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was determined to be > 300°C at 97510 Pa.
Density
Based on the available data from study report, the density of test substance was determined following OECD guideline 109 and adopted from method ASTM 854-02. Method followed was according to pycnometer method. The density of the test substance was determined to be 1.5328 gm/cm3 at 20°C and 975.2 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 150 micronto 25 micron.
Vapour pressure
Based on the available data frommodelling database,Modified Grain method was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of test chemical at 25°C was evaluated to be 3.34E-007 mmHg (0.0000446 Pa).
Partition coefficient
On the basis of the available data from authoritative and modelling databases,the partition coefficient (logKow) value of test chemical was determined to be 2.05 at 25°C. Based on this value, test chemical was considered to be hydrophilic in nature.
Water solubility
Based on the available data from study report,the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 3862.36 mg/L at 25°C. On the basis of this value, test chemical was considered to be 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
Testing for this end pointis technically not feasible and 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 962 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 the 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 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.
Stability in organic solvents and identity of relevant degradation products
The study does not need to be conducted because the stability of the substance is not considered to be critical.
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 1.97 at 27°C.
Dissociation constant
The study does not need to be conducted because the substance has no ionic structure.
Viscosity
The study does not need to be conducted because the substance is a solid.
Additional information
Appearance
On the basis of available data from study report, the appearance of test chemical was observed to be white crystalline powder.
In a supporting study from handbook, the appearance of test chemical was observed to be white microcrystalline powder.
Additional study from authoritative database indicates the appearance of test chemical as off-white powder.
From secondary source, the appearance of test chemical was observed to be an organic solid.
Melting point
Based on the available data from study report, the melting point determination of test chemical was done as per the test guideline 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 was determined to be in the range of 146°C to 148.5°C at 97450 Pa.
In a supporting study from secondary source,the melting point of test chemical was determined to be in the range of 146°C to 148°C.
Additional study from handbook indicates the melting point of test chemical in the range of 145°C to 148°C.
From various reliable handbooks and authoritative & modelling database, the melting point of test chemical was determined to be 149°C.
Boiling Point
On the basis of datafrom study report,the boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was determined to be > 300°C at 97510 Pa.
In a supporting study from modelling database, EPI Suite MPVPBP V1.43 was used to predict the boiling point of test chemical. The boiling point of chemical was evaluated to be 405.54˚C
Additional study from authoritative and modelling database indicates the boiling point of test chemical as 426.8±28.0 °C at 101325 Pa.
Density
Based on the available data from study report, the density of test substance was determined following OECD guideline 109 and adopted from method ASTM 854-02. Method followed was according to pycnometer method. The density of the test substance was determined to be 1.5328 gm/cm3 at 20°C and 975.2 hPa.
In a supporting study from handbook, the density of test chemical was determined to be 1.2977 at 25°C.
Additional study from modelling database indicates the density of test chemical as 1.5±0.1 g/cm3.
From another reliable modelling database, the density of test chemical was estimated to be 1.468±0.06 g/cm3 at 20°C and 101325 Pa.
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 150 micronto 25 micron.
Vapour pressure
Based on the available data frommodelling database,Modified Grain method was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of test chemical at 25°C was evaluated to be 3.34E-007 mmHg (0.0000446 Pa).
In a supporting study from modelling database, the vapour pressure of test chemical at 25°C was estimated to be 1.72E-7 mmHg (0.00002293 Pa).
Partition coefficient
On the basis of the available data from authoritative and modelling databases,the partition coefficient (logKow) value of test chemical was determined to be 2.05 at 25°C.
Additional study from modelling database indicates the partition coefficient (logKow) value of the test chemical as 1.55.
Thus, on the basis of above information, the logKow value was test chemical was evaluated to be ranges from 1.55 to 2.05, indicating that the test chemical to be hydrophilic in nature.
Water solubility
Based on the available data from study report,the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 3862.36 mg/L at 25°C. On the basis of this value, test chemical was considered to be 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
Testing for this end pointis technically not feasible and 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 962 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 the 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 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.
Stability in organic solvents and identity of relevant degradation products
The study does not need to be conducted because the stability of the substance is not considered to be critical.
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 1.97 at 27°C.
Dissociation constant
The study does not need to be conducted because the substance has no ionic structure.
Viscosity
The study does not need to be conducted because the substance is a solid.
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