Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, test chemicalwas observed to be a white solid powder.

Melting 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 determine to be 51.3 -55.3°C at 971.0 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 boiling point of test chemical is greater than 300°C at 970.6 hPa.

Density:

The density of Test item was determined following OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 1.2858 g/cm³ at 20°C and 970.6 hPa.

Particle size distribution:

The particle size distribution of test item was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 10 micron.

Vapour pressure:

The estimated vapour pressure of the test substance at 25 Deg C was 0.120 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.

Water solubility:

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 133.13 mg/L at 25°C.

Thus test chemical is considered to be moderately soluble in water.

Solubility in organic solvents / fat solubility:

The experimental value of solubility of test chemical in ethanol at 27°C was determine to be 4100 mg/L indicating that this substance is soluble in ethanol.

The experimental value of solubility of test chemical in Petroleum ether at 27°C was determine to be 120 mg/L indicating that this substance is moderately soluble in petroleum ether.

Surface tension:

In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this study does not need to be conducted if, based on structure, surface activity is not expected and no surface-active properties would be predicted for this compound. Surface activity is not a desired property of test chemical and hence this end point was considered for waiver

Flash point:

The flash point determination of Test item was done. The method is closed cup method using Pensky-Martens Flash Point Apparatus. The meanflash point of the test item was determine to be 104.6°C at 971.1 hPa.

Auto flammability:

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 test chemical is not auto-flammable.

Flammability:

From the experimental values of flammability, test chemical ignited when the flame of bunsen burner having temperature of 950°C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950°C. However since such high temperatures are not found under normal circumstances of transportation and use, test chemical was considered non-flammable.

Explosiveness:

According to theoretical considerations based on chemical structure, test chemical does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in test chemical. Thus, as per column 2 of Annex VII this end point was considered for waiver.

Oxidizing properties:

Test chemical was determine to have mild oxidising property since 86.2 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical. Thus, the chemical is considered as non-oxidising for the purpose of classification.

Stability in organic solvents and identity of relevant degradation products:

Test chemical was determine to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.

pH:

The pH determination of test item was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determine to be 5.20 at 30 °C.

Dissociation constant:

Test chemical was determine to be a weakly dissociating solid with the average pKa value of 0.0000000141 at 27°C

Viscosity:

Viscosity is an internal property of a liquid that offers resistance to flow. Test chemical is a solid substance and hence this end point was considered for waiver.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, test chemicalwas observed to be a white solid powder.

From other reliable sources & authoritative databases test chemical is present in the form of white needle shapeed substance having orange blossom like odour.

Melting 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 determine to be 51.3 -55.3°C at 971.0 hPa.

From other reliable sources & authoritative dataabses melting point of test chemical is determine to be 56°C &in the range between 53 -56°C.

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 boiling point of test chemical is greater than 300°C at 970.6 hPa.

From other reliable sources & authoritative databases boiling point of test chemical is in the range between 301–303°C.

Density:

The density of Test item was determined following OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 1.2858 g/cm³ at 20°C and 970.6 hPa.

Particle size distribution:

The particle size distribution of test item was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 10 micron.

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the test substance at 25 Deg C was 0.120 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with mobile phase up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.44. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Acetophenone, Benzophenone, Phenol, Benzene, 4-Acetylpyridine, 2-Nitrophenol, Nitrobenzene, Naphthalene having Pow value ranging from 0.5 to 3.6. The Log Pow value was determined to be 2.6776 ± 0.001 at 25°C.

Bu considering this log Kow value test chemical is considered to be hydrophilic in nature.

Water solubility:

The water solubility determination of test item was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 133.13 mg/L at 25°C.

Thus test chemical is considered to be moderately soluble in water.

From other sources solubility of test chemical in water is estimated as 272 mg/L.This value indicates that the chemical is moderately soluble in water.

Solubility in organic solvents / fat solubility:

The experimental value of solubility of test chemical in ethanol at 27°C was determine to be 4100 mg/L indicating that this substance is soluble in ethanol.

The experimental value of solubility of test chemical in Petroleum ether at 27°C was determine to be 120 mg/L indicating that this substance is moderately soluble in petroleum ether.

Surface tension:

In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this study does not need to be conducted if, based on structure, surface activity is not expected and no surface-active properties would be predicted for this compound. Surface activity is not a desired property of test chemical and hence this end point was considered for waiver

Flash point:

The flash point determination of Test item was done. The method is closed cup method using Pensky-Martens Flash Point Apparatus. The meanflash point of the test item was determine to be 104.6°C at 971.1 hPa.

From other reliable sources & authoritative databases flash point of test chemical is determine to be 129°C or 264°F.

Auto flammability:

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 test chemical is not auto-flammable.

Flammability:

From the experimental values of flammability, test chemical ignited when the flame of bunsen burner having temperature of 950°C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950°C. However since such high temperatures are not found under normal circumstances of transportation and use, test chemical was considered non-flammable.

Explosiveness:

According to theoretical considerations based on chemical structure, test chemical does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in test chemical. Thus, as per column 2 of Annex VII this end point was considered for waiver.

Oxidizing properties:

Test chemical was determine to have mild oxidising property since 86.2 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical. Thus, the chemical is considered as non-oxidising for the purpose of classification.

Stability in organic solvents and identity of relevant degradation products:

Test chemical was determine to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.

pH:

The pH determination of test item was done as per the test guideline OECD 122. The mean pH of the test dispersion was determined with the help of digital pH meter. The mean pH was determine to be 5.20 at 30 °C.

Dissociation constant:

Test chemical was determine to be a weakly dissociating solid with the average pKa value of 0.0000000141 at 27°C

Viscosity:

Viscosity is an internal property of a liquid that offers resistance to flow. Test chemical is a solid substance and hence this end point was considered for waiver.