Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:
On the basis of visual perceptual/Olfactory property test chemical is observed to be light yellow coloured powder.

Melting point:
The Mean melting temperature range of test chemical was determined to be in the range169.6-172.8°C at 969.4hPa.

Boiling point:
The mean boiling point of test chemical was determined to be 220.3°C at 969.5 hPa.

Density:
The mean density of test chemical was determined to be 0.4475 g/cm³at 20 °C and 968.9 hPa.

Particle size distribution:

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 25 micron.

Vapour pressure:

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI SUITE.The vapour pressure of test chemical was estimated to be 0.000116 pas. at 25 deg 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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.2. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene having Pow value ranging from 1.5 to 4.6.The Log Pow value was determined to be 3.406 ± 0.000 at 25°C.

Water solubility:
The water solubility determination of test chemical was done by spectrophotometric method. The water solubility was determined to be 0.1697 mg/L at 25°C.

Surface tension:

The study does not need to be conducted because surface activity is not desired property of the material. As the test chemical is a solid, hence this endpoint should be consudered as waiver.

Flash point:

The study doesnot need to be conducted because flash point is only relevant to liquids and low melting solids.

Auto Flammability:

Test chemical did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that  it 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 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 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 of 1% w/v dispersion of the test chemical was determinrd to be 5.69 at 30 °C.

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

Additional information

Appearance:

On the basis of visual perceptual/Olfactory property test chemical is observed to be light yellow coloured powder.

Other supporting studies from various reliable sources such as handbook also indicates that the test chemical was observed to be an organic yellow coloured needles or powder i.e. solid 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 to be 169.6 - 172.8°C at 969.4hPa.

Other supporting study from various reliable sources such as authoritative database and handbooks also indicated that the melting point of test chemical was observed in the range of 170 degree C to 177 degree C, which was very close to selected key study 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 in replicates and mean boiling point was determined to be 220.3°C at 969.5 hPa.

Other supporting data from authoritative database, indicates the boiling point of test chemical, in the range of 215 degree C to 220 degree C at 4 torr pressure. This value is very close to selected key study value.

Density:

The density of test chemical was determined following OECD Guideline 109 and according to the Adapted method from ASTM D854-02 using glass pyknometer . The mean density of test chemical was determined to be 0.4475 g/cm³at 20 °C and 968.9 hPa.

Particle size distribution:

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 25 micron.

Vapour pressure:

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI SUITE.The vapour pressure of test chemical was estimated to be 0.000116 pas. at 25 deg 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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.2. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Phenol, Benzene, 2-Nitrophenol, Nitrobenzene, Toluene, Ethylbenzene, n-Butylbenzene having Pow value ranging from 1.5 to 4.6.The Log Pow value was determined to be 3.406 ± 0.000 at 25°C.

Additional study from authoritative and modelling databases indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be 3.89 at 25°C.

Thus, based on the available information, the logPow valueof the test chemical ranges from 3.4 to 3.89, respectively.

Water solubility:

The water solubility determination of test chemical was done as perthe OECD guideline 105 by spectrophotometric analytical method as per OECD 101. Its solubility in water was determined to be 0.1697 mg/L at 25°C.
Other supporting study from different authoritative databases estimates the water solubility of test chemical to be in the range of 1.234 - 1.613 mg/L at 25 degree C.

On the basis of above values, the chemical was interpreted to be slightly soluble in water.

Surface tension:

The study does not need to be conducted because surface activity is not desired property of the material. As the test chemical is a solid, hence this endpoint should be consudered as waiver.

Flash point:

The study doesnot need to be conducted because flash point is only relevant to liquids and low melting solids.

Auto Flammability:

Test chemical did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that  it 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 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 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 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 5.69 at 30 °C.

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