Registration Dossier

Physical & Chemical properties

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 a white crystalline powder.

 

Melting point

Based on the available data from study report,the melting point of test chemical was determined. The study was performed in accordance with the 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 of the test chemical was determined to be in the range between 68 to 72.5°C at 97800 Pa.

 

Boiling Point

On the basis of available data from study report,the boiling point of test chemical was determined. The study was performed in accordance with the OECD Guideline 103 (Boiling Point). The method followed was according to Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be > 260°C at 96730 Pa.

 

Density

Based on the available data from study report,the density of test chemical was determined following OECD Guideline 109 (Density of Liquids and Solids) and according to the method adapted from ASTM D 854-02 using glass pyknometer. The mean density of the test chemical was determined to be 0.8982 g/cm³ at 20°C and 976.65 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 in the range of 150 micron to 75 micron.

 

Vapour pressure

Based on the available data from handbook, authoritative database and secondary source, the vapour pressure of test chemical was estimated to be 1.097 Pa at 25°C.

 

Partition coefficient

On the basis of the available data from study report,the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test chemical was 5.9. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were 4-Methoxyphenol, Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether, having Pow value ranging from 1.3 to 4.2 The Log Pow value was determined to be 3.318 ± 0.003 at 25°C indicating that the test chemical is 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 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 49.23 mg/l. On the basis of this value, test chemical was considered to be slightly soluble in water.

 

Solubility in organic solvents

Based on the available data from study report, the solubility of test chemical in ethanol and petroleum ether at 30°C was determined to be 3700 mg/l and 200 mg/L, respectively indicating that the test chemical is soluble in ethanol and moderately soluble in petroleum ether.

 

Surface tension

The study does not need to be conducted because surface activity is not a desired property of the material.

 

Flash point

Based on the available data from study report,the flash point of test chemical was determined. The study was performed following the closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test chemical was determined to be 99°C at 97740 Pa. Thus, on the basis of criteria mentioned in CLP regulation, the chemical has flash point > 60°C hence the substance was considered to be not flammable.

 

Auto flammability

Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 962hPa. 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 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.

 

Stability in organic solvents and identity of relevant degradation products

Test chemical was reported 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

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 3.14 at 27.9°C. Thus, test chemical is considered to be acidic in nature.

 

Dissociation constant

Based on the available data from study report,the dissociation constant of test chemical was determined to be 0.000000001 at 30°C, indicating that the test chemical has dissociating properties.

 

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 a white crystalline powder.

In a supporting study fromhandbooks, authoritative database and secondary source, the appearance of test chemical was observed as white crystalline solid powder.

Additional study from handbooks indicates the appearance of test chemical as white crystalline solid with an intense orange blossom odor.

In another study from secondary sources, the appearance of test chemical was observed as white solid.

 

Melting point

Based on the available data from study report,the melting point of test chemical was determined. The study was performed in accordance with the 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 of the test chemical was determined to be in the range between 68 to 72.5°C at 97800 Pa.

In a supporting study fromhandbooks, authoritative database and secondary source, the melting point of test chemical was determined to be 73.5°C.

Additional study from handbooks and authoritative database indicates the melting point of test chemical was determined to be 72°C.

In another study from handbooks and secondary sources, the melting point of test chemical was determined to be in the range between 73 to 75°C.

 

Boiling Point

On the basis of available data from study report,the boiling point of test chemical was determined. The study was performed in accordance with the OECD Guideline 103 (Boiling Point). The method followed was according to Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be > 260°C at 96730 Pa.

In a supporting study fromhandbooks, authoritative databases and secondary source,the boiling point of test chemical was determined to be 274°C.

 

Density

Based on the available data from study report,the density of test chemical was determined following OECD Guideline 109 (Density of Liquids and Solids) and according to the method adapted from ASTM D 854-02 using glass pyknometer. The mean density of the test chemical was determined to be 0.8982 g/cm³ at 20°C and 976.65 hPa.

In a supporting study fromhandbook,the density of the test chemical was determined to be 0.9887 g/cm3 at 25°C.

 

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 in the range of 150 micron to 75 micron.

 

Vapour pressure

Based on the available data from handbook, authoritative database and secondary source, the vapour pressure of test chemical was estimated to be 1.097 Pa at 25°C.

 

Partition coefficient

On the basis of the available data from study report,the partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals. A test chemical solution was prepared by accurately weighing 4 mg of test chemical and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test chemical was 5.9. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared . The reference substances were 4-Methoxyphenol, Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Naphthalene, Diphenyl ether, having Pow value ranging from 1.3 to 4.2 The Log Pow value was determined to be 3.318 ± 0.003 at 25°C.

In a supporting study from handbook, authoritative database and secondary sources,the octanol water partition coefficient (log Pow) value of the test chemical was determined to be 3.47.

Thus, on the basis of available information, the partition coefficient value of test chemical was determined to be ranges from 3.3 to 3.47, respectively,indicating that the test chemical is 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 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determined to be 49.23 mg/l. On the basis of this value, test chemical was considered to be slightly soluble in water.

 

Solubility in organic solvents

Based on the available data from study report, the solubility of test chemical in ethanol and petroleum ether at 30°C was determined to be 3700 mg/l and 200 mg/L, respectively indicating that the test chemical is soluble in ethanol and moderately soluble in petroleum ether.

 

Surface tension

The study does not need to be conducted because surface activity is not a desired property of the material.

 

Flash point

Based on the available data from study report,the flash point of test chemical was determined. The study was performed following the closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test chemical was determined to be 99°C at 97740 Pa. Thus, on the basis of criteria mentioned in CLP regulation, the chemical has flash point > 60°C hence the substance was considered to be not flammable.

 

Auto flammability

Test chemical did not catch fire on being exposed to air at room temperature of 27°C pressure of 962hPa. 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 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.

 

Stability in organic solvents and identity of relevant degradation products

Test chemical was reported 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

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 3.14 at 27.9°C. Thus, test chemical is considered to be acidic in nature.

 

Dissociation constant

Based on the available data from study report,the dissociation constant of test chemical was determined to be 0.000000001 at 30°C, indicating that the test chemical has dissociating properties.

 

Viscosity

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