Registration Dossier
Registration Dossier
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EC number: 201-718-9 | CAS number: 87-02-5
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 an amorphous Off white substance with characteristics odour.
Melting point:
Decomposition temperature of test chemical is determine to be 180 to 200°C.
Boiling Point:
The study does not need to be conducted because the substance is a solid which decomposes before boiling. Decomposition temperature of test chemical is determine to be 180 to 200°C.
Density:
The bulk density of test chemical by the mass by volume method was determine to be 0.624 g/cm3 at room temperature of 24 °C .
Particle size distribution:
The particle size distribution (granulometry) of test chemical by the sieve analysis method was observed to be in the range of 75 micrometer to 500 micrometer. Majority of the particles were observed to be in the size more than 150 (59.63%) - 75 (25.1%) micrometer in size.
Vapour pressure:
The estimated vapour pressure of test substance at 25 Deg C was 3.26E-9 Pa.
Partition coefficient
Based on the available data from secondary source, authoritative and modelling databases,the partition coefficient (log Pow) value of the test chemical was estimated to be -1.39. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
Water solubility of test chemical was determine to be 5000 mg/l at 20 Deg C ;This value indicate that test chemical is soluble in water.
Solubility in organic solvents / fat solubility:
The experimental value of solubility of test chemical in methanol at temperature of 24 Deg C was determine to be 1700 mg/L indicating that test chemical is slightly soluble in methanol.
The experimental value of solubility of test chemical in Petroleum ether at temperature of 24 Deg C was determine to be 80 mg/L indicating that test chemical is slightly soluble in Petroleum ether.
Surface tension:
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point:
The study does not need to be conducted because decomposition occurred during the melting point study.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 24 Deg C and atmospheric pressure of 990 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 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 chemcial was determine to have oxidising property since 146.5 mg 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 observed 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:
1% by volume solution of test chemical was determine to exhibit a pH of 3.08 at 21 Deg C. Thus 1% by volume solution of test chemical is relatively acidic in nature.
Dissociation constant:
The average experimental pKa value for test chemical was determine to be 0.000016866667 at 24 degC indicating that it has dissociating 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 chemcial.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, test chemical was observed to be an amorphous Off white substance with characteristics odour.
From other reliable sources & authoritative databases test substance was observed to be a solid organic powder with beige colour.
Melting point:
Decomposition temperature of test chemical is determine to be 180 to 200°C.
Boiling Point:
The study does not need to be conducted because the substance is a solid which decomposes before boiling. Decomposition temperature of test chemical is determine to be 180 to 200°C.
Density:
The bulk density of test chemical by the mass by volume method was determine to be 0.624 g/cm3 at room temperature of 24 °C .
From reliabel sources density of test chemical is determine to be ca. 0.7 g/cm3.
Particle size distribution:
The particle size distribution (granulometry) of test chemical by the sieve analysis method was observed to be in the range of 75 micrometer to 500 micrometer. Majority of the particles were observed to be in the size more than 150 (59.63%) - 75 (25.1%) micrometer in size.
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 test substance at 25 Deg C was 3.26E-9 Pa.
Partition coefficient
Based on the available data in a key study from secondary source, authoritative and modelling databases,the partition coefficient (log Pow) value of the test chemical was estimated to be -1.39.
In a supporting study from handbook,the partition coefficient (log Pow) value of the test chemical was estimated to be -0.4.
Additional study from modelling database indicates that the octanol water partition coefficient (log Pow) value of the test chemical was estimated to be -1.46 ± 1.07.
Thus, based on the available information, the logPow valueof the test chemical ranges from -1.46 to -0.4, respectively. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
Water solubility of test chemical was determine to be 5000 mg/l at 20 Deg C ;This value indicate that test chemical is soluble in water.
Solubility in organic solvents / fat solubility:
The experimental value of solubility of test chemical in methanol at temperature of 24 Deg C was determine to be 1700 mg/L indicating that test chemical is slightly soluble in methanol.
The experimental value of solubility of test chemical in Petroleum ether at temperature of 24 Deg C was determine to be 80 mg/L indicating that test chemical is slightly soluble in Petroleum ether.
Surface tension:
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of test chemical.
Flash point:
The study does not need to be conducted because decomposition occurred during the melting point study.
Auto flammability:
Test chemical did not catch fire on being exposed to air at room temperature of 24 Deg C and atmospheric pressure of 990 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 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 chemcial was determine to have oxidising property since 146.5 mg 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 observed 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:
1% by volume solution of test chemical was determine to exhibit a pH of 3.08 at 21 Deg C. Thus 1% by volume solution of test chemical is relatively acidic in nature.
From authoritative databases pH of test chemical is determine to be ca.3 at concentration 0.5 g/L.
Dissociation constant:
The average experimental pKa value for test chemical was determine to be 0.000016866667 at 24 degC indicating that it has dissociating 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 chemcial.
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