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Physical & Chemical properties

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Description of key information

Appearance

On the basis of physical appearance, test chemical was observed to be a violet coloured organic solid 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 159°C to 162°C at 97780 Pa.

 

Boiling Point

On the basis of data fromstudy report,the boiling point determination of test chemical 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 > 240°C at 97690 Pa

 

Density

Based on the data from study report, the bulk and tap density of test chemical was determined following the standard method recommended in the International Pharmacopoeia, fourth Edition, 2014. Method followed was pour and tap method. The bulk and tap density of test chemical was determined to be 0.3125 gm/cm3 and 0.5 gm/cm3 at 22.8°C.

 

Particle size distribution

On the basis of available data, the particle size distribution of test chemical was determined by sieve analysis method. The particle size distribution was determined to be in the range of 250 micron to 53 micron. Majority of the particles were found to be in the size 250 micrometer (with 29.6% distribution) and 53 micrometer (with 27.5% distribution) in size.

 

Vapour pressure

Based on the available data from authoritative and modelling databases, 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 was evaluated to be 3.87E-12 mmHg (0.000000000516 Pa) at 25°C.

 

Partition coefficient

On the basis of data from modelling database, the partition coefficient (logKow) value of the test chemical was determined to be 2.039. 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 shake flask method. The water solubility value of the test chemical was determined to be 150 mg/l at 22°C. Based on this value, test chemical was considered to be moderately soluble in water.

 

Surface tension

On the basis of data from modelling database, surface tension of test chemical was estimated to be 49.5±3.0 mN/m.

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

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 7.4 at 23°C. Thus, test chemical was considered to be basic in nature.

Additional information

Appearance

On the basis of physical appearance, test chemical was observed to be a violet coloured organic solid 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 159°C to 162°C at 97780 Pa.

 

Boiling Point

On the basis of data fromstudy report,the boiling point determination of test chemical 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 > 240°C at 97690 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 491.35˚C

 

Density

Based on the data from study report, the bulk and tap density of test chemical was determined following the standard method recommended in the International Pharmacopoeia, fourth Edition, 2014. Method followed was pour and tap method. The bulk and tap density of test chemical was determined to be 0.3125 gm/cm3 and 0.5 gm/cm3 at 22.8°C.

 

Particle size distribution

On the basis of available data, the particle size distribution of test chemical was determined by sieve analysis method. The particle size distribution was determined to be in the range of 250 micron to 53 micron. Majority of the particles were found to be in the size 250 micrometer (with 29.6% distribution) and 53 micrometer (with 27.5% distribution) in size.

 

Vapour pressure

Based on the available data from authoritative and modelling databases, 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 was evaluated to be 3.87E-12 mmHg (0.000000000516 Pa) at 25°C.

In a supporting study from handbook, the vapour pressure of test chemical was estimated to be 4.46E-14 mmHg (0.00000000000594 Pa) at 25°C.

 

Partition coefficient

On the basis of data from modelling database, the partition coefficient (logKow) value of the test chemical was determined to be 2.039.

In a supporting study from modelling database, the octanol- water partition coefficient of the test chemical was estimated using OPERA V1.02. The estimated partition coefficient (logKow) value of the test chemical was evaluated to be 3.51.

Thus, on the basis of available information, the partition coefficient value of test chemical was evaluated to be ranges from 2.03 to 3.51, indicating that the 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 shake flask method. The water solubility value of the test chemical was determined to be 150 mg/l at 22°C.

In a supporting study, the Water solubility of test chemical by shake flask method was determined to be 130 mg/l at 38°C and 6.2 pH.

Thus, on the basis of available information, the water solubility of test chemical was evaluated to be ranges from 130 to 150 mg/l, indicating that the test chemical was considered to bemoderatelysoluble in water.

 

Surface tension

On the basis of data from modelling database, surface tension of test chemical was estimated to be 49.5±3.0 mN/m.

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

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 7.4 at 23°C. Thus, test chemical was considered to be basic in nature.