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EC number: 209-218-2 | CAS number: 561-41-1
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of physical appearance, test chemical was observed to be a violet coloured organic solid powder.
Melting point
Based on the available data from study report, the melting point determination of test chemical was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean melting point was determined to be in the range of 159°C to 162°C at 97780 Pa.
Boiling Point
On the basis of data fromstudy report,the boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was determined to be > 240°C at 97690 Pa
Density
Based on the data from study report, the bulk and tap density of test chemical was determined following the standard method recommended in the International Pharmacopoeia, fourth Edition, 2014. Method followed was pour and tap method. The bulk and tap density of test chemical was determined to be 0.3125 gm/cm3 and 0.5 gm/cm3 at 22.8°C.
Particle size distribution
On the basis of available data, the particle size distribution of test chemical was determined by sieve analysis method. The particle size distribution was determined to be in the range of 250 micron to 53 micron. Majority of the particles were found to be in the size 250 micrometer (with 29.6% distribution) and 53 micrometer (with 27.5% distribution) in size.
Vapour pressure
Based on the available data from authoritative and modelling databases, Modified Grain method was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of test chemical was evaluated to be 3.87E-12 mmHg (0.000000000516 Pa) at 25°C.
Partition coefficient
The partition coefficient (n-octanol/water) of test substance was determined as per the HPLC method (OECD Guideline-117). The Log Powvalue was found to be 3.447±0.018 at 25°C.
Water solubility
The water solubility value of test substance was determined to be 14.01 mg/L
Surface tension
On the basis of data from modelling database, surface tension of test chemical was estimated to be 49.5±3.0 mN/m.
Flash point
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.
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 the 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.
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.
Oxidizing 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
Based on the available data from study report, the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 7.4 at 23°C. Thus, test chemical was considered to be basic in nature.
Additional information
Appearance
On the basis of physical appearance, test chemical was observed to be a violet coloured organic solid powder.
Melting point
Based on the available data from study report, the melting point determination of test chemical was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean melting point was determined to be in the range of 159°C to 162°C at 97780 Pa.
Boiling Point
On the basis of data fromstudy report,the boiling point determination of test chemical was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point of test chemical was determined to be > 240°C at 97690 Pa.
In a supporting study from modelling database, EPI Suite MPVPBP V1.43 was used to predict the boiling point of test chemical. The boiling point of chemical was evaluated to be 491.35˚C
Density
Based on the data from study report, the bulk and tap density of test chemical was determined following the standard method recommended in the International Pharmacopoeia, fourth Edition, 2014. Method followed was pour and tap method. The bulk and tap density of test chemical was determined to be 0.3125 gm/cm3 and 0.5 gm/cm3 at 22.8°C.
Particle size distribution
On the basis of available data, the particle size distribution of test chemical was determined by sieve analysis method. The particle size distribution was determined to be in the range of 250 micron to 53 micron. Majority of the particles were found to be in the size 250 micrometer (with 29.6% distribution) and 53 micrometer (with 27.5% distribution) in size.
Vapour pressure
Based on the available data from authoritative and modelling databases, Modified Grain method was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of test chemical was evaluated to be 3.87E-12 mmHg (0.000000000516 Pa) at 25°C.
In a supporting study from handbook, the vapour pressure of test chemical was estimated to be 4.46E-14 mmHg (0.00000000000594 Pa) at 25°C.
Partition coefficient
The Partition Coefficient n-octanol/water (Pow) of4,4’-bis(dimethylamino)-4’’-(methylamino)trityl alcohol(CAS No.561-41-1) was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.
The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile : Water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Functionally similar reference substances were selected using QSAR model 3.0. Selected reference substances and test chemical were prepared in methanol with a concentration of 400 mg/L. These were analyzed on HPLC considering the similar conditions.
After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Powvalue.
The reference substances wereCinnamyl alcohol, Benzene, Toluene, Ethyl benzene, Biphenyl, Butyl benzene and Triphenylaminehaving Powvalue ranging from 1.9 to 5.6
The Log Powvalue was found to be3.447 ± 0.018at 25°C.
Thus, on the basis of available information, the partition coefficient value of test chemical was evaluated to be ranges from 2.03 to 3.51, indicating that the test chemical was considered to be hydrophilic in nature.
Water solubility
The study was conducted to determine the solubility of Test substance in ultra-pure water, according to the OECD guideline 105 (Adopted by the Council on 27th July 1995) and OECD 101(Adopted: 12 May 1981). Test was conducted at 25±2°C in two stages; preliminary test for 24/96 h, followed by confirmatory test for 24 h, 48 h and 72 h in replicates. The final water solubility value was calculated based on average of the individual values obtained after 24 h, 48 h and 72 h. The difference between the average values in three vessels was not observed more than 15%. The water solubility value was observed to be 14.01 mg/L at 25±2 °C.
Surface tension
On the basis of data from modelling database, surface tension of test chemical was estimated to be 49.5±3.0 mN/m.
Flash point
The study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.
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 the 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.
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.
Oxidizing 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
Based on the available data from study report, the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 7.4 at 23°C. Thus, test chemical was considered to be basic in nature.
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