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 chemical is determine to be a colourless organic liquid with unpleasant odour at 35ºC and 960 hPa

Melting point:

Freezing point of test chemical was determine to be less than equal to -10.3 Deg C at pressure 978.1 hPa.

Boiling Point:

The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determine to be 216°C at 972.8 hPa.

Density:

The density determination of test substance was done as per the test guideline OECD 109 by pycnometer method. The density was determined to be 1.071 g/cm3 at 20 degree C and 971.3 hPa

Particle size distribution:

Granulometry (particle size distribution is a property that is relevant only to solids. Since test chemical is a liquid substance this testing was not scientifically possible and hence this end point was waived.

Vapour pressure:

Vapour pressure of test chemical is estimated to be 10.10 Pa at 25 °C.

Partition coefficient:

The experimental log value of octanol water partition co-efficient (log Pow) of test chemical is determined to be 4.2 at 30°C and pH 5.92 by shake flask method.  This value indicates that test chemical is hydrophobic in nature.

Water solubility:

The water solubility determination of test substance was done as per the shake flask method. The solubility of test chemical in water was determine to be 0.01 mg/l at 300C. From this solubility value it is concluded that test chemical is insoluble in water.

Solubility in organic solvents / fat solubility:

The solubility determination of test substance in various organic solvents was done with  acetonitrile, methanol,toluene and Dimethylformamide (DMF). The solubility of the test substance in acetonitrile, methanol, toluene and DMF was determine to be greater than 1000 g/l.

The solubility of test chemical in petroleum ether is determine to be 1000000 mg/L at 35 ºC by using Soxhlet/Solvent extraction method.This value indicates that test chemical is very soluble in petroleum ether.

Surface tension:

Surface tension of test chemical is estimated to be 38.826 mN/m at 25ºC.

Flash point:

The flash point determination of test substance was done by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was determine to be 110°C at 975.8 hPa.

Thus it can be concluded that test chemical is not a flammable liquid.                    

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:

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 information is not required.

Oxidizing properties:

Test chemical is observed to be oxidising with the redox titration yielding an end point of 477.6 ml KMno4 per 100g of analyte, 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 comparitive GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.

pH:

The pH determination of test substance was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. The pH was determine to be 5.68 at 30°C.Hence the substance is acidic in nature.

Dissociation constant:

The average experimental pKa value for test chemical is determine to be 0.0000000000000055 at 30°C.This value indicates that test chemical has very low dissociating properties.

Viscosity:

The viscosity determination of test substance was done as per the test guideline OECD 114 using Redwood Viscometer No. 1.Kinematic viscosity (experimental) of test substance at 200C and 400C is 29.393 mm2/s and 19.8 mm2/s, respectively. Dynamic viscosity (calculated) of test substance at 200C and 400C is 31.450 mPa.S and 21.186 mPa.S, respectively.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, test chemical is determine to be a colourless organic liquid with unpleasant odour at 35ºC and 960 hPa

From other reliable soures, the apppaearence of test chemical is an organic oily liquid with anise,herbal, woody, fresh odor.

Melting point:

Freezing point of test chemical was determine to be less than equal to -10.3 Deg C at pressure 978.1 hPa.

Boiling Point:

The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determine to be 216°C at 972.8 hPa.

From other reliable sources & authoritative databases boiling point of test chemical is determine in the range between 119 to 121 Deg C at pressure 1 kPa & 147 Deg C at pressure 960 hPa.

Density:

The density determination of test substance was done as per the test guideline OECD 109 by pycnometer method. The density was determined to be 1.071 g/cm3 at 20 degree C and 971.3 hPa

From other reliable experimental reports,the density of test chemical was concluded to be 1.030 g/cm3 at 35 °C .

Also, from other reliable sources, density of test chemical was concluded to be 1.0714 at 20ºC which matches with experimental study reports.

Particle size distribution:

Granulometry (particle size distribution is a property that is relevant only to solids. Since test chemical is a liquid substance this testing was not scientifically possible and hence this end point was waived.

Vapour pressure:

Vapour pressure of test chemical is estimated to be 0.0758 mmHg at 25 °C, This value when converted into Pascal (Pa)works out to be 10.105 Pa at 25 °C.

According to EPI suite and DEPA study vapour pressure of test chemical is estimated to be 0.0213 mmHg (2.84 Pa) at 25 °C by Modified Grain Method.

Partition coefficient:

The experimental log value of octanol water partition co-efficient (log Pow) of test chemical is determined to be 4.2 at 30°C and pH 5.92 by shake flask method.  This value indicates that test chemical is hydrophobic in nature.

Water solubility:

The water solubility determination of test substance was done as per the shake flask method. The solubility of test chemical in water was determine to be 0.01 mg/l at 300C. From this solubility value it is concluded that test chemical is insoluble in water.

From other reliable sources,the test chemical was concluded to be practically insoluble at 35 degree C.

Solubility in organic solvents / fat solubility:

The solubility determination of test substance in various organic solvents was done with  acetonitrile, methanol,toluene and Dimethylformamide (DMF). The solubility of the test substance in acetonitrile, methanol, toluene and DMF was determine to be greater than 1000 g/l.

The solubility of test chemical in petroleum ether is determine to be 1000000 mg/L at 35 ºC by using Soxhlet/Solvent extraction method.This value indicates that test chemical is very soluble in petroleum ether.

Surface tension:

Surface tension of test chemical is estimated to be 38.826 mN/m at 25ºC.

Flash point:

The flash point determination of test substance was done by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was determine to be 110°C at 975.8 hPa.

Thus it can be concluded that test chemical is not a flammable liquid.                    

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:

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 information is not required.

Oxidizing properties:

Test chemical is observed to be oxidising with the redox titration yielding an end point of 477.6 ml KMno4 per 100g of analyte, 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 comparitive GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.

pH:

The pH determination of test substance was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of pH meter. The pH was determine to be 5.68 at 30°C.Hence the substance is acidic in nature.

Dissociation constant:

The average experimental pKa value for test chemical is determine to be 0.0000000000000055 at 30°C.This value indicates that test chemical has very low dissociating properties.

Viscosity:

The viscosity determination of test substance was done as per the test guideline OECD 114 using Redwood Viscometer No. 1.Kinematic viscosity (experimental) of test substance at 200C and 400C is 29.393 mm2/s and 19.8 mm2/s, respectively. Dynamic viscosity (calculated) of test substance at 200C and 400C is 31.450 mPa.S and 21.186 mPa.S, respectively.

From other experimental report, static viscosity of test chemical is determine to be 21.384 mm²/s at 35 ºC.