Registration Dossier
Registration Dossier
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EC number: 266-100-3 | CAS number: 66068-84-6
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be a colourless viscous liquid.
Melting point:
Freezing point of test chemical was determine to be less than -10.3 Deg C at pressure 982.1 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 greater than 240 °C at pressure 982.1 hPa.
Density:
The density of test substance was determined following guideline OECD 109 according to pycnometer method. The density of the test substance was determine to be 0.9825 gm/cm3at temperature 20 °C and pressure 983.7 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 considered to be waived.
Vapour pressure:
The estimated vapour pressure of the test substance at 25 deg C was 0.00162 Pa.
Partition coefficient:
Based on the available data from modeling database EPI suite using the KOWWIN V1.68 programme,the partition coefficient (log Pow) value of the test chemical was estimated to be 5.5. On the basis of this value, test chemicalcan be considered to be hydrophobic in nature.
Water solubility:
The experimental result for water solubility of test chemical was determine to be less than 0.01 mg/L at temperature 35 deg C.
Thus test chemicalwill be considered to be insoluble in water.
Solubility in organic solvents / fat solubility:
The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone was determine to be 100 -200 mg/l, whereas acetonitrile it was determine to be <1 mg/l, whereas in methanol, ethanol, toluene, and DMF the solubility range was determine to be 200-1000 mg/l respectively at 27.5 °C.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C.
Flash point:
The flash point determination of test substance was done. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was determine to be 136°C at pressure 980.9 hPa.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 35 deg C and atmospheric pressure of 960 hPa. This indicates that 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 degC 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 information was considered for waiver.
Oxidizing properties:
Test chemical was observed to be mildly oxidizing since 104.6 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 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 6.7 at 25 °C.
Dissociation constant:
The experimental pKa value for test chemical was determine to be 0.0000000000000237(0.23 x 10-13) at 30 degC indicating that it has dissociation properties.
Viscosity:
Kinematic viscosity (experimental) of test chemical at 80 0C and 100 0C is 74.1 mm2/sec and 30.01 mm2/s, respectively.
Dynamic viscosity (calculated) of test chemical at 80 0C and 100 0C is 72.803 mPa.S and 29.48 mPa.S, respectively.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be a colourless viscous liquid.
From other authoritative databases test chemical physically appear as a viscous colorless liquid having disagreeable odor.
Melting point:
Freezing point of test chemical was determine to be less than -10.3 Deg C at pressure 982.1 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 greater than 240 °C at pressure 982.1 hPa.
From authoritative databases boiling point of test chemical is determine to be 145 Deg C at pressure 960 hPa.
Density:
The density of test substance was determined following guideline OECD 109 according to pycnometer method. The density of the test substance was determine to be 0.9825 gm/cm3at temperature 20 °C and pressure 983.7 hPa.
From authoritative dataabses density of test chemical is determine to be 0.974 g/cm3 at temperature 35 Deg C.
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 considered to be waived.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of the test substance using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance at 25 deg C was 0.00162 Pa.
Partition coefficient:
Based on the available data in a key study from modeling database EPI suite using the KOWWIN V1.68 programme,the partition coefficient (log Pow) value of the test chemical was estimated to be 5.5. On the basis of this value, test chemicalcan be considered to be hydrophobic in nature.
In a supporting study from modelling database, the partition coefficient (log Pow) value of the test chemical was estimated to be 5.27 ± 0.24.
Additional studyfrommodelling database indicates that the octanol waterpartition coefficient (log Pow) value of the test chemical was estimated to be 5.313 ± 0.243 at 25°C.
Thus, based on the available information, the logPow valueof the test chemical ranges from 5.27 to 5.5, respectively. On the basis of this value, test chemical can be considered to behydrophobic in nature.
Water solubility:
The experimental result for water solubility of test chemical was determine to be less than 0.01 mg/L at temperature 35 deg C.
Thus test chemicalwill be considered to be insoluble in water.
From authoritative databases water solubility of test chemical was determine to be less than 0.01 mg/L at temperature 35 deg C which is same as key value.
Solubility in organic solvents / fat solubility:
The solubility determination of test substance in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone was determine to be 100 -200 mg/l, whereas acetonitrile it was determine to be <1 mg/l, whereas in methanol, ethanol, toluene, and DMF the solubility range was determine to be 200-1000 mg/l respectively at 27.5 °C.
Surface tension:
The study does not need to be conducted because water solubility is below 1 mg/L at 20°C.
Flash point:
The flash point determination of test substance was done. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was determine to be 136°C at pressure 980.9 hPa.
From authiritative databases flash point of test chemical is determine to be 128 Deg C by closed cup method.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 35 deg C and atmospheric pressure of 960 hPa. This indicates that 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 degC 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 information was considered for waiver.
Oxidizing properties:
Test chemical was observed to be mildly oxidizing since 104.6 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 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 6.7 at 25 °C.
Dissociation constant:
The experimental pKa value for test chemical was determine to be 0.0000000000000237(0.23 x 10-13) at 30 degC indicating that it has dissociation 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 800C and 1000C is74.1 mm2/secand30.01 mm2/s,respectively. Dynamic viscosity (calculated) of test substance at72.803 mPa.Sand29.48 mPa.s, respectively.
From authoritative databases Viscosity of test chemical is determine to be 109.224 mPa*s at temperature 35 °C.
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