1,4-bis(p-tolylamino)anthraquinone

Endpoint summary

Description of key information

Appearance:

On the basis of experimental results the appearance of test chemical was observed to be a bluish green organic solid powder.

Melting point:

The melting point determination of test item was done as per the test guideline OECD 102. The method followed was according to Capillary/ metal block. The mean melting point range was determined to be 210°C - 212.6 °C at 977.5 hPa.

Boiling Point:

The boiling point determination of test chemical was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be greater than 250°C at 978.1 hPa.

Density:

The density of test item test chemical was determined following OECD Guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014 using bulk density apparatus.The mean pour density and tapped density of the test item was determine to be 0.1449 g/cm³and 0.2083 g/cm³at 27 °C and  974.7 hPa.

Particle size distribution:

The particle size distribution of test item was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 25 micron.

Vapour pressure:

Based on available data from authoritative databases and modelling database, the vapour pressure of test chemical was estimated to be 9.40E-11 Pa (7.05E-013  mmHg)  at 25 deg C.

Partition coefficient:

Based on the available data from experimental study report,the partition coefficient (Pow) of test chemical was determined according to the HPLC method at 40 °C in accordance with OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) and EU Method A.8 (Partition Coefficient - HPLC Method), respectively. According to OECD guideline 117 and considering environmental relevance, buffered water at pH 5 was chosen. The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C. For the determination of the partition coefficient (Kow) four calibration standards with log Kow from 2.8 - 5.7 are established in the EG-test method. As no calibration standard with log Pow > 5.7 is established in the EG-test method, two new reference substances (bis(2-ethylhexyl)phthalate and decachlorobiphenyl ) were used in this test. For both reference substances the log Pow -values were determined by the slow stirring method. The log Pow value determined were 7. 5 for bis(2-ethylhexyl)phthalate and 8. 3 for decachlorobiphenyl. On the basis of calibration graph, log Pow value of test chemical was determined to be 8.2 dimensionless. On the basis of this log Pow value, it is concluded that test chemical is hydrophobic in nature.

Water solubility:

The water solubility determination of test item was done as per the HPLC method. The solubility of test chemical in water was determine to be less than 0.01 mg/L @ 25 Deg C. This value indicates that test substance is insoluble in water.

Solubility in organic solvents / fat solubility:

The experimental value of solubility of test chemical by gravimetric method in petroleum ether was determine to be 1000 mg/L. This value indicats that test substance is soluble in petroleum ether.

The experimental value of solubility of test chemical by gravimetric method in ethanol was determine to be 500 mg/L. This value indicats that the substance test chemical is moderately soluble in ethanol.

Surface tension:

The study does not need to be conducted because surface activity is not a desired property of the material.

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:

The substance was tested for autoflammability according to VDI 2263 sheet 1 (screening in the Grewer oven). The pure substance showed no selfignition up to 440 °C. The 1:1 mixture with kieselgur had a selfignition at about 260°C. Thus, no classification required for test substance.

Flammability:

The substance was tested for flammability according to VDI 2263 sheet 1. When using a flame or a hot platinum wire as ignition source no burning was observed but only melting. No spreading of fire occured. Therefore, the burning behaviour of the substance can be characterized with Combustion Number 1 "no ignition". No determination of the burning rate was required.

Thus according to CLP (EC 1272/2008) regulation test product cannot be classified as a "flammable solid".

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 there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.

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:

The pH determination of test item was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of digital pH meter. The pH was determined to be 5.71 at 32 °C. This value indicates that test substanceis acidic in nature.

Dissociation constant:

The average experimental value of dissociation constant of test chemical was determined to be 0.2298E-12 at a temperature of 30 Deg C.

Viscosity:

The study does not need to be conducted because the substance is a solid. 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 chemical and considered for waiver.  

Additional information

Appearance:

On the basis of experimental results the appearance of test chemical was observed to be a bluish green organic solid powder.

From other reliable sources & authoritative databases appearance of test chemical is concluded to be dark blue organic solid, in powder or crystalline form having no specific odour.

Melting point:

The melting point determination of test item was done as per the test guideline OECD 102. The method followed was according to Capillary/ metal block. The mean melting point range was determined to be 210°C - 212.6 °C at 977.5 hPa.

From other reliable sources & authoritative databases melting point of test chemical was determined in the range between 215 - 221 Deg C.

Boiling Point:

The boiling point determination of test chemical was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be greater than 250°C at 978.1 hPa.

Density:

The density of test item test chemical was determined following OECD Guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014 using bulk density apparatus.The mean pour density and tapped density of the test item was determine to be 0.1449 g/cm³and 0.2083 g/cm³at 27 °C and  974.7 hPa.

From other reliable sources & authoritative databases experimental value of density of test chemical by mass by volume method was determined to be 0.253 g/cm³ at 30 deg C & 0.45 g/cm3.

Particle size distribution:

The particle size distribution of test item was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 25 micron.

Vapour pressure:

Based on available data from authoritative databases and modelling database, the vapour pressure of test chemical was estimated to be 9.40E-11 Pa (7.05E-013  mmHg)  at 25 deg C.

Partition coefficient:

Based on the available data in a key study from experimental study report,the partition coefficient (Pow) of test chemical was determined according to the HPLC method at 40 °C in accordance with OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) and EU Method A.8 (Partition Coefficient - HPLC Method), respectively. According to OECD guideline 117 and considering environmental relevance, buffered water at pH 5 was chosen. The reference Pow-values in the OECD-guideline presumably refer to 25 °C. Even though the column temperature was 40 °C, this temperature is without influence on the result of the determination. The calibration was done referring to Pow- values of reference substances determined at 25 °C. For the determination of the partition coefficient (Kow) four calibration standards with log Kow from 2.8 - 5.7 are established in the EG-test method. As no calibration standard with log Pow > 5.7 is established in the EG-test method, two new reference substances (bis(2-ethylhexyl)phthalate and decachlorobiphenyl ) were used in this test. For both reference substances the log Pow -values were determined by the slow stirring method. The log Pow value determined were 7. 5 for bis(2-ethylhexyl)phthalate and 8. 3 for decachlorobiphenyl. On the basis of calibration graph, log Pow value of test chemical was determined to be 8.2 dimensionless.

In a supporting study from study report (2018), the partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with Acetonitrile up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 6.2. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were 4-Methoxyphenol, Benzophenone, Phenol, Benzene, Methyl benzoate, 1,4-Dichlorobenzene, Chlorobenzene, Bromobenzene, 2,3-Dichloroaniline, 2-Nitrophenol, Nitrobenzene, 2,6 -Dichlorobenzonitrile, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Phenoxyacetic acid, Cinnamic Acid, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 1.3 to 6.5. The Log Pow value of test chemical was determined to be 6.407 ± 0.000 at 25°C.

Thus, based on the available information, the logPow value of the test chemical was determined to be ranges from 6.4 to 8.2, respectively. On the basis of this experimental value, test chemical can be considered to be hydrophobic in nature.

 

Water solubility:

The water solubility determination of test item was done as per the HPLC method. The solubility of test chemical in water was determine to be less than 0.01 mg/L @ 25 Deg C. This value indicates that test substance is insoluble in water.

From reliable handbooks it is concluded that test chemical is insoluble in water.

Solubility in organic solvents / fat solubility:

The experimental value of solubility of test chemical by gravimetric method in petroleum ether was determine to be 1000 mg/L. This value indicats that test substance is soluble in petroleum ether.

The experimental value of solubility of test chemical by gravimetric method in ethanol was determine to be 500 mg/L. This value indicats that the substance test chemical is moderately soluble in ethanol.

Surface tension:

The study does not need to be conducted because surface activity is not a desired property of the material.

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:

The substance was tested for autoflammability according to VDI 2263 sheet 1 (screening in the Grewer oven). The pure substance showed no selfignition up to 440 °C. The 1:1 mixture with kieselgur had a selfignition at about 260°C. Thus, no classification required for test substance.

From other experimental report it was observed that test chemical is not auto-flammable since the chemical did not auto ignite on exposure to air at room temperature.

Flammability:

The substance was tested for flammability according to VDI 2263 sheet 1. When using a flame or a hot platinum wire as ignition source no burning was observed but only melting. No spreading of fire occured. Therefore, the burning behaviour of the substance can be characterized with Combustion Number 1 "no ignition". No determination of the burning rate was required.

Thus according to CLP (EC 1272/2008) regulation test product cannot be classified as a "flammable solid".

From other sources test chemical ignited only when the flame of bunsen burner having temperature of 950°C is brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950°C. However since such high temperatures are not found under normal circumstances of transportation and use, test chemical is considered as non-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 there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.

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:

The pH determination of test item was done as per the test guideline OECD 122. The pH of the test solution was determined with the help of digital pH meter. The pH was determined to be 5.71 at 32 °C. This value indicates that test substanceis acidic in nature.

Dissociation constant:

The average experimental value of dissociation constant of test chemical was determined to be 0.2298E-12 at a temperature of 30 Deg C.

Viscosity:

The study does not need to be conducted because the substance is a solid. 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 chemical and considered for waiver.