Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of experimental results test chemical was observed to be a off white to light yellowish brown orgnaic powder.

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 255.3 °C - 259.3 °C at 979.0 hPa.

Boiling Point:

The boiling point determination of Test item was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determine to greater than 250°C at 979.0 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 1.288 g/cm3at 20oC and 977.2 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 75 micron.

Vapour pressure:

The estimated vapour pressure of the test substance at 25 deg C was 0.00072 Pa.

Partition coefficient:

Based on the available data from authoritative database, the partition coefficient (log Pow) value of the test chemical was determined to be 1.52. 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 gravimetrically as per the shake flask method using membrane filtration followed by air drying.The water solubility was determine to be 320 mg/L at 25°C.Thus the chemical is considered to be moderately soluble.

Solubility in organic solvents / fat solubility:

Based on the gravimetric method, the experimental value of solubility of test chemical in methanol at temperature of 37 Deg C was determine to be 4100 mg/L indicating that test chemical is soluble in methanol. Similarly experimental value of solubility in Petroleum ether at temperature of 37 Deg C was determine to be 50 mg/L indicating that test chemical is slightly soluble in Petroleum ether.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. Test chemical is used as a pharmaceutical intermediate. For this use, surface activity is not an important property. Hence this study was considered for waiver.

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 141.6°C at 978.5 hPa.

Auto flammability:

Test chemical did not catch fire on being exposed to air at room temperature of 37 Deg C and atmospheric pressure of 970 hPa. This indicates 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 Deg C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 Deg 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 not observed to be oxidising since 625.74 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

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 following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of digital pH meter and it was observed to be 5.79 at 31.6°C indicating that the substance is acidic in nature.

Dissociation constant:

The experimental pKa value for test chemical was determine to be 0.0000000029733333 (average pKa value) at 37deg C indicating that the chemical has dissociation properties.

Viscosity:

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and test chemical is a solid substance and hence this testing was considered scientifically unjustified for test chemical.

 

Additional information

Appearance:

On the basis of experimental results test chemical was observed to be a off white to light yellowish brown orgnaic powder.

From other reliable sources test chemical is an organic solid present in the form of brown powder & crystalline powder white odourless.

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 255.3 °C - 259.3 °C at 979.0 hPa.

From other reliable sources & authoritative databases melting point of test chemical is determine to be in the range 252-264 °C.

Boiling Point:

The boiling point determination of Test item was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determine to greater than 250°C at 979.0 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 1.288 g/cm3at 20oC and 977.2 hPa.

Density of test chemical is determine to be 1.2752 g/cm3 at temperature 25 Deg C & 1.2752 g/cm3 at temperature 25 Deg C.

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 75 micron.

Vapour pressure:

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

The estimated vapour pressure of the test substance at 25 deg C was 0.00072 Pa.

Partition coefficient:

Based on the available data from authoritative database, the partition coefficient (log Pow) value of the test chemical was determined to be 1.52. 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 gravimetrically as per the shake flask method using membrane filtration followed by air drying.The water solubility was determine to be 320 mg/L at 25°C.Thus the chemical is considered to be moderately soluble.

Solubility in organic solvents / fat solubility:

Based on the gravimetric method, the experimental value of solubility of test chemical in methanol at temperature of 37 Deg C was determine to be 4100 mg/L indicating that test chemical is soluble in methanol. Similarly experimental value of solubility in Petroleum ether at temperature of 37 Deg C was determine to be 50 mg/L indicating that test chemical is slightly soluble in Petroleum ether.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. Test chemical is used as a pharmaceutical intermediate. For this use, surface activity is not an important property. Hence this study was considered for waiver.

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 141.6°C at 978.5 hPa.

Auto flammability:

Test chemical did not catch fire on being exposed to air at room temperature of 37 Deg C and atmospheric pressure of 970 hPa. This indicates 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 Deg C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950 Deg 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 not observed to be oxidising since 625.74 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

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 following OECD guideline 122. pH of 1% w/v dispersion was measured with the help of digital pH meter and it was observed to be 5.79 at 31.6°C indicating that the substance is acidic in nature.

Dissociation constant:

The experimental pKa value for test chemical was determine to be 0.0000000029733333 (average pKa value) at 37deg C indicating that the chemical has dissociation properties.

Viscosity:

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and test chemical is a solid substance and hence this testing was considered scientifically unjustified for test chemical.