Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observations, test item was observed to be a solid chemical having yellow crystals.

Melting point:

The melting point determination of Test item was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point range was determine to be 128.5 °C -132.5 °C at 979.1 hPa.

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 as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was inferred to be greater than 260°C at 979.8 hPa.

 

Density:

The density of test item was determined following OECD Guideline 109 and according to the Adapted from ASTM D 854 -02 using glass pyknometer. The density of the test item was determine to be 1.465 g/cm3at 20°C and 978.4 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 53 micron.

Vapour pressure:

Vapour pressure value for test substance is determine to be 0.0049 Pa at temperature 25°C.

Partition coefficient:

Based on the available data from study report,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. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 4.9. The reference substances were chosen according to Functional similarity with the test substance and calibration graph was prepared. The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Nitrobenzene, Toluene, Ethylbenzene, Naphthalene, Dodecanoic acid, having Pow value ranging from 0.5 to 4.2. The Log Pow value of the test chemical was determined to be 1.100 ± 0.028 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 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 3623.38 mg/L at 25°C.

Thus test chemical is considered to be soluble in water.

 

Surface tension:

Surface activity is not a desired property of test chemical considering its use mostly as a dye intermediate and a reagent for organic synthesis. Hence in accordance with column 2 of Annex VII of the REACH regulation, this end point was not considered for testing.

Flash point:

The flash point determination of test chemical was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 189.6°C at 979.0hPa.

 

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 test chemical 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 non-flammable.

Explosiveness:

The study does not need to be conducted because the substance contains chemical groups associated with explosive properties which include oxygen, but the calculated oxygen balance is less than - 200.

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:

The pH determination of test item was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of digital pH meter electrode. The pH was determine to be 2.44 at 30.3°C.

 

Additional information

Appearance:

On the basis of physical observations, test item was observed to be a solid chemical having yellow crystals.

From other reliable sources & authoritative database, it is concluded that test chemical acid physically appear as a yellowish white crystalline powder, crystalline powder having yellowish faint odor & monoclinic leaves or prisms which bitter taste.

Melting point:

The melting point determination of Test item was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point range was determine to be 128.5 °C -132.5 °C at 979.1 hPa.

From the other reliable sources & authoritative databases, it is concluded that melting point of test chemical is in the range of 139 to 143.5 Deg C which is near to the key value.

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 as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was inferred to be greater than 260°C at 979.8 hPa.

From other reliable sources boiling point of test chemical is determine to be 295.67 Deg C.

Density:

The density of test item was determined following OECD Guideline 109 and according to the Adapted from ASTM D 854 -02 using glass pyknometer. The density of the test item was determine to be 1.465 g/cm3 at 20°C and 978.4 hPa.

From the other authoritative databases & reliable sources it is concluded that density of test chemical is 1.494 g/cm3 at temperature 20 Deg C which is near to key value.

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 53 micron.

Vapour pressure:

Vapour pressure value for test substance is determine to be 0.0049 Pa at temperature 25°C.

 

Partition coefficient:

Based on the available data in a key study from study report, 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. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 4.9. The reference substances were chosen according to Functional similarity with the test substance and calibration graph was prepared . The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Nitrobenzene, Toluene, Ethylbenzene, Naphthalene, Dodecanoic acid, having Pow value ranging from 0.5 to 4.2. The Log Pow value of the test chemical was determined to be 1.100 ± 0.028 dimensionless at 25°C.

Additional studyfromhandbook, authoritative database, secondary source and modelling databasesindicates that the octanol waterpartition coefficient (log Pow) value of the test chemical was estimated to be 1.83.

Thus, based on the available information, the logPow valueof the test chemical ranges from 1.1 to 1.83, respectively. On the basis of this value, test chemical can be considered to behydrophilic 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 3623.38 mg/L at 25°C.

Thus test chemical is considered to be soluble in water.

From the other authoritative databases it is concluded that water solubility of test chemical is in the range of 3000 to 3580 mg/L.

Thus test chemical is considered to be soluble in water.

Surface tension:

Surface activity is not a desired property of test chemical considering its use mostly as a dye intermediate and a reagent for organic synthesis. Hence in accordance with column 2 of Annex VII of the REACH regulation, this end point was not considered for testing.

 

Flash point:

The flash point determination of test chemical was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 189.6°C at 979.0hPa.

From the other authoritative databases flash point of test chemical is concluded to be 190 Deg C which is near to key value.

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 test chemical 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 non-flammable.

 

Explosiveness:

The study does not need to be conducted because the substance contains chemical groups associated with explosive properties which include oxygen, but the calculated oxygen balance is less than - 200.

 

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:

The pH determination of test item was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of digital pH meter electrode. The pH was determine to be 2.44 at 30.3°C.

From other authoritative databases pH of test chemical is determine to be 3 at temperature 20 Deg C & concentration 5 g/L.