Ethylenediamine, salt with phosphoric acid

Endpoint summary

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, test chemical was observed to be a white 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 temperature range was determine to be 221.5 - 222.1°C at pressure 981.3 hPa.

Boiling Point:

The boiling point determination of Test item was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. the test item liquifies at 222 °C, but oozes out of capillary in form of blisters.Thus, no string of bubbles were observed up to 300 °C inferring boiling point to be greater than 300°C. at 983.3 hPa.

Density:

The density of Test item was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test item was determine to be 0.8713 g/cm³ and 0.9762 g/cm³ at temperature 20°C and pressure 980.0 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 determine to be in the range of 150 micron to 25 micron.

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 test substance at 25 Deg C was 0.0000000809 Pa.

Partition coefficient:

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals(Experimental study report, 2018). 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 5.5. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4- Trichlorobenzene, Chlorobenzene, Bromobenzene, 2,3-Dichloroaniline, 4-Acetylpyridine, Acetanilide, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, 3-Methylbenzoic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 1.865 ± 0.002 at 25°C. Based on this value, it can be concluded that test chemical is hydrophilic in nature.

Water solubility:

The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 5509.96 mg/L at temperature 25°C.

Thus the chemical is considered to be soluble 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 acetonitrile, methanol, toluene and DMF was determine to be less than 1g/l at 32 °C.

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 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 28 Deg C and atmospheric pressure of 975 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 chemical was observed to have oxidising property since 57.4 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 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 mean pH of the test solution was determined with the help of digital pH meter. The mean pH was determine to be 7.03 at temperature 24.1 °C.

Dissociation constant:

The experimental pKa value for test chemicl was observed to be 0.0000000000002758,0.000000000000276,,0.000000000000276 at 28 Deg C indicating that it has dissociation properties

The average experimental pKa value for test chemical was observed to be 0.0000000000002759333333 at 28 Deg C.

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 chemical.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, test chemical was observed to be a white solid powder.

From other reliable sources & authoritative databases test chemcial physically appear as a solid white 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 temperature range was determine to be 221.5 - 222.1°C at pressure 981.3 hPa.

From other reliable sources & authoritative databases test chemical does not have melting point, it starts decomposing at temperture 246 Deg C & 250 Deg C.

Boiling Point:

The boiling point determination of Test item was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. the test item liquifies at 222 °C, but oozes out of capillary in form of blisters.Thus, no string of bubbles were observed up to 300 °C inferring boiling point to be greater than 300°C. at 983.3 hPa.

Density:

The density of Test item was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014. The mean pour density and tapped density of the test item was determine to be 0.8713 g/cm³ and 0.9762 g/cm³ at temperature 20°C and pressure 980.0 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 determine to be in the range of 150 micron to 25 micron.

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 test substance at 25 Deg C was 0.0000000809 Pa.

Partition coefficient

The partition Coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals(Experimental study report, 2018). 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 5.5. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.The reference substances were Butanone, Acetophenone, Benzophenone, 4-Methoxyphenol, Phenol, Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,4-Dichlorobenzene, 1,2,4- Trichlorobenzene, Chlorobenzene, Bromobenzene, 2,3-Dichloroaniline, 4-Acetylpyridine, Acetanilide, 2-Nitrophenol, Nitrobenzene, 2,6-Dichlorobenzonitrile, Diphenylamine, Cinnamyl alcohol, 4-Methylbenzyl alcohol, Benzyl alcohol, Phenoxyacetic acid, 3-Methylbenzoic acid, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether, DDT having Pow value ranging from 0.3 to 6.5. The Log Pow value was determined to be 1.865 ± 0.002 at 25°C. Based on this value, it can be concluded that test chemical is hydrophilic in nature.

Water solubility:

The water solubility determination of test chemical was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of test chemical in water was determine to be 5509.96 mg/L at temperature 25°C.

Thus the chemical is considered to be soluble in water.

From other reliable sources & authoritative databases water solubility of test chemical is determine to be solution 5% in water & 3 g/L at 20 Deg C. From above solubility value it is concluded that test chemical is very soluble 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 acetonitrile, methanol, toluene and DMF was determine to be less than 1g/l at 32 °C.

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 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 28 Deg C and atmospheric pressure of 975 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 chemical was observed to have oxidising property since 57.4 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 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 mean pH of the test solution was determined with the help of digital pH meter. The mean pH was determine to be 7.03 at temperature 24.1 °C.

Dissociation constant:

The experimental pKa value for test chemicl was observed to be 0.0000000000002758,0.000000000000276,,0.000000000000276 at 28 Deg C indicating that it has dissociation properties

The average experimental pKa value for test chemical was observed to be 0.0000000000002759333333 at 28 Deg C.

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 chemical.