Registration Dossier

Physical & Chemical properties

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 chemical was appeared to be a white crystalline powder.

Melting point
The mean melting temperature range of test chemical was determined to be 116.8-122.3°C at 968.1hPa.

Boiling point
The mean boiling point of test chemical was determined to be 240.6°C at 967.6 hPa.

Density
The mean density of test chemical was determined to be 0.9843 g/cm³at 20°C and 967.9 hPa.

Particle size distribution (Granulometry):

The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size was determined to be in the range of 150 to 53 microns.

Vapor pressure

MPBPVP v1.43 was used to estimate the vapor pressure of test chemical which was reported to be 0.00122 Pa at 25 degC.

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Partition Coefficient

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 (Experimental study report, 2018). 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 5.07. 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, Ethylbenzene, Naphthalene having Pow value ranging from 0.5 to 4. The Log Pow value was determined to be 0.6242 ± 0.010 dimensionless at 25°C. 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 byspectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 754.801 mg/L at 30°C. Thus the chemical is considered to be moderately soluble in water.

Surface tension

Based on the data from ACD labs, surface tension of test chemical was predicted to be 39.4 ± 3.0 dyne/cm.

Flash point

The study does not need to be conducted because flash point is only relevant to liquids and low melting solids. As the test chemical is solid, hence this end point should be considered as waiver.

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 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 it 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 as non-flammable for chemical safety assessment.

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.

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. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 5.22 at 29°C.

Viscosity
The study does not need to be conducted because the substance is a solid.

Additional information

Appearance / physical state / colour

On the basis of physical observation and using the sense of smell, test chemical was appeared to be a white crystalline powder.

Other supporting study from authoritative database also indicates that the test chemical is observed to be very slighty yellow coloured  crystalline powder in appearance.

Melting point

The melting point determination of test chemical was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined in the range of 116.8 -122.3°C at 968.1hPa.

Boiling point

The boiling point determination of test chemical was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 240.6°C at 967.6 hPa.

Density

The density of test chemical was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using glass pyknometer. The mean density of test item was determined to be 0.9843 g/cm³at 20°C and 967.9 hPa.

Other supporting study from authoritative predicted databases indicates that the density of test chemical to be to be 1.126±0.06 g/cm3  at 20 degree C and 760 torr pressure, which is close to selected key study value.

Particle size distribution (Granulometry):

The particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size was determined to be in the range of 150 to 53 microns.

Vapor pressure

MPBPVP v1.43 was used to estimate the vapor pressure of test chemical which was reported to be 0.00122 Pa at 25 degC.

Partition Coefficient

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 (Experimental study report, 2018). 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 5.07. 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, Ethylbenzene, Naphthalene having Pow value ranging from 0.5 to 4. The Log Pow value was determined to be 0.6242 ± 0.010 dimensionless at 25°C. 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 byspectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 754.801 mg/L at 30°C. Thus the chemical is considered to be moderately soluble in water.

Surface tension

Based on the data from ACD labs, surface tension of test chemical was predicted to be 39.4 ± 3.0 dyne/cm.

Flash point

The study does not need to be conducted because flash point is only relevant to liquids and low melting solids. As the test chemical is solid, hence this end point should be considered as waiver.

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 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 it 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 as non-flammable for chemical safety assessment.

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.

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. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 5.22 at 29°C.

Viscosity
The study does not need to be conducted because the substance is a solid.