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Description of key information

Appearance/physical state colour

On the basis of physical observation and using the sense of smell, the substance 4,4'-bis(dimethylamino)-4''-(methylamino) trityl alcohol was observed to be a blue coloured odourless organic solid.

Melting/Freezing point

The melting point determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol(CAS No. 561-41-1) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point was found to be in range of 159 °C- 162 °C at 977.8hPa.

From other reliable sources, melting point of the substance 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol was observed to be 160 degree C.

Boiling point

The boiling point determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol(CAS No.561-41-1) was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The boiling point was found to be greater than 240 °C at 976.9 hPa.

From other reliable sources,the boiling point of the substance 4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol was observed to be 460 degree C at 960 hPa.

Density

The bulk density of the substance 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol calculated experimentally by the mass by volume method was found to be 0.554 g/cm3 at 30°C. The relative density with respect to that of water (having a density of 1 g/cm3 was also found to be 0.554. The value of relative density at 20 deg C works out to be 0.831 gm/cm3.

From other reliable sources, density of the substance 4,4'-Bis(dimethylamino)-4''-(methylamino)trityl alcohol was observed to be 1.152 g/cm3 at 20 degree C

Particle size distribution/granulometry

The particle size distribution (granulometry) of 4,4'-bis(dimethylamino)-4''(methylamino) trityl alcohol by the sieve analysis method was found to be in the range of 53 micrometer to 250 micrometer. Majority of the particles were found to be in the size 250 (29.6%) - 53 (27.5%) micrometer in size.

Vapour pressure

Vapor Pressure of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol of the key study was estimated to be 0.0000000000039 mmHg (3.9E-12)at a temperature of 25 °C. This value when converted into Pascal (Pa) works out to be 0.00000000052 Pa at a temperature of 25 deg C. Thus it can be conlcuded that 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol has very low vapour pressure

Partition coefficient

The experimental value of octanol water partition co-efficient (log Pow) of 4,4'-bis (dimethylamino)-4''(methylamino) trityl alcohol by Shake flask method was found to be 0.32221 at temperature 35 deg C and pH of 4.89.This value indicates that 4,4'-bis(dimethylamino)-4''(methylamino) trityl alcohol is relatively hydrophobic in nature. Supporting studies shows value different from key study due to difference in the estimation conditions. However for the purpose of chemical safety assessment key study value 0.322 shall be considered.

Water solubility

The water solubility determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol. (CAS No. 561-41-1) was done as per the shake flask method. The solubility was found to be 150mg/l at 220C.

From other experimental report, water solubility of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol by shake flask method was found to be 130 mg/l at 38 deg C.

From both experimental data, it can be concluded that 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol is moderately soluble in water.

Solubility in organic solvents

The experimental value of solubility of 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol in methanol at temperature of 30 deg C was found to be 15000mg/L indicating that 4,4'-bis(dimethylamino)-4''(methylamino) trityl alcohol is very soluble in methanol. This value at 20 deg C is equivalent to 10000 mg/l.

Surface tension

In accordance with coloumn 2 of Annex VII, this end point was considered for waiver since surface activity is not a desired property of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol.

Flash point

The flash point determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol (CAS No. 561-41-1) was done by closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was found to be greater than 250°C at 977.3 hPa.

Auto flammability

4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol did not catch fire on being exposed to air at room temperature of 35 deg C and atmospheric pressure of 965 hPa. This indicatesN,N-dimethyl-p-toluidineis not auto-flammable.

Flammability

Test chemical 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol (CAS no.561-41-1) 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 4,4'-bis(dimethylamino)-4''- (methyl amino) trityl alcohol (CAS no.561-41-1) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Test chemical (CAS no.561-41-1) was considered non-flammable.

Explosiveness

According to theoretical considerations based on chemical structure, 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol. Thus, as per column 2 of Annex VII this end point was considered for waiver.

Oxidising properties

4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be mildly oxidising since230.1 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol. The oxidising property was not considered strong enough to classify the chemical as "oxidising"

Stability in Organic solvents and identity of relevent degradation products :

4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol was found 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 substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol(CAS No. 561-41-1) was done as per the test guideline OECD 122. The pH of the test solution was determined with the help ofpH meter. The pH was found to be 7.4 at 23 °C.

Dissociation constant

The experimental pKa value for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be 0.0000000000000285667 (average pKa value) at 30 deg C indicating that the chemical has dissociation properties.This value at 20 deg C is equivalent to 0.000000000000019044467.

Viscocity

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol is a solid substance and hence this testing was considered scientifically unjustified for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol.

Additional information

Appearance/physical state colour

On the basis of physical observation and using the sense of smell, the substance 4,4'-bis(dimethylamino)-4''-(methylamino) trityl alcohol was observed to be a blue coloured odourless organic solid.

Melting/Freezing point

The melting point determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol(CAS No. 561-41-1) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The melting point was found to be in range of 159 °C- 162 °C at 977.8hPa.

From other reliable sources, melting point of the substance 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol was observed to be 160 degree C.

Boiling point

The boiling point determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol(CAS No.561-41-1) was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The boiling point was found to be greater than 240 °C at 976.9 hPa.

From other reliable sources,the boiling point of the substance 4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol was observed to be 460 degree C at 960 hPa.

Density

The bulk density of the substance 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol calculated experimentally by the mass by volume method was found to be 0.554 g/cm3 at 30°C. The relative density with respect to that of water (having a density of 1 g/cm3 was also found to be 0.554. The value of relative density at 20 deg C works out to be 0.831 gm/cm3.

From other reliable sources, density of the substance 4,4'-Bis(dimethylamino)-4''-(methylamino)trityl alcohol was observed to be 1.152 g/cm3 at 20 degree C

Particle size distribution/granulometry

The particle size distribution (granulometry) of 4,4'-bis(dimethylamino)-4''(methylamino) trityl alcohol by the sieve analysis method was found to be in the range of 53 micrometer to 250 micrometer. Majority of the particles were found to be in the size 250 (29.6%) - 53 (27.5%) micrometer in size.

Vapour pressure

Vapor Pressure of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol of the key study was estimated to be 0.0000000000039 mmHg (3.9E-12)at a temperature of 25 °C. This value when converted into Pascal (Pa) works out to be 0.00000000052 Pa at a temperature of 25 deg C. Thus it can be conlcuded that 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol has very low vapour pressure

Partition coefficient

The experimental value of octanol water partition co-efficient (log Pow) of 4,4'-bis (dimethylamino)-4''(methylamino) trityl alcohol by Shake flask method was found to be 0.32221 at temperature 35 deg C and pH of 4.89.This value indicates that 4,4'-bis(dimethylamino)-4''(methylamino) trityl alcohol is relatively hydrophobic in nature. Supporting studies shows value different from key study due to difference in the estimation conditions. However for the purpose of chemical safety assessment key study value 0.322 shall be considered.

Water solubility

The water solubility determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol. (CAS No. 561-41-1) was done as per the shake flask method. The solubility was found to be 150mg/l at 220C.

From other experimental report, water solubility of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol by shake flask method was found to be 130 mg/l at 38 deg C.

From both experimental data, it can be concluded that 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol is moderately soluble in water.

Solubility in organic solvents

The experimental value of solubility of 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol in methanol at temperature of 30 deg C was found to be 15000mg/L indicating that 4,4'-bis(dimethylamino)-4''(methylamino) trityl alcohol is very soluble in methanol. This value at 20 deg C is equivalent to 10000 mg/l.

Surface tension

In accordance with coloumn 2 of Annex VII, this end point was considered for waiver since surface activity is not a desired property of 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol.

Flash point

The flash point determination of test substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol (CAS No. 561-41-1) was done by closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was found to be greater than 250°C at 977.3 hPa.

Auto flammability

4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol did not catch fire on being exposed to air at room temperature of 35 deg C and atmospheric pressure of 965 hPa. This indicatesN,N-dimethyl-p-toluidineis not auto-flammable.

Flammability

Test chemical 4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol (CAS no.561-41-1) 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 4,4'-bis(dimethylamino)-4''- (methyl amino) trityl alcohol (CAS no.561-41-1) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Test chemical (CAS no.561-41-1) was considered non-flammable.

Explosiveness

According to theoretical considerations based on chemical structure, 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol. Thus, as per column 2 of Annex VII this end point was considered for waiver.

Oxidising properties

4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be mildly oxidising since230.1 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol. The oxidising property was not considered strong enough to classify the chemical as "oxidising"

Stability in Organic solvents and identity of relevent degradation products :

4,4'-bis(dimethylamino)-4''-(methylamino)trityl alcohol was found 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 substance4,4’-bis(dimethylamino)-4’’-(methyl amino)trityl alcohol(CAS No. 561-41-1) was done as per the test guideline OECD 122. The pH of the test solution was determined with the help ofpH meter. The pH was found to be 7.4 at 23 °C.

Dissociation constant

The experimental pKa value for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol was found to be 0.0000000000000285667 (average pKa value) at 30 deg C indicating that the chemical has dissociation properties.This value at 20 deg C is equivalent to 0.000000000000019044467.

Viscocity

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol is a solid substance and hence this testing was considered scientifically unjustified for 4,4'-bis(dimethylamino)-4''(methylamino)trityl alcohol.