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EC number: 216-223-3 | CAS number: 1530-32-1
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, Ethyltriphenylfosfonium bromide was observed to be a White crystalline solid powder.
Melting point:
The melting point determination of test substance Ethyltriphenylphosphonium bromide(CAS No. 1530-32-1) was done as per the test guideline OECD 102. The method followed was according toCapillary/metal block. The melting point was determine to be in range of 198 °C -205 °C at 981.5 hPa.
Boiling Point:
The boiling point determination of test substanceEthyl triphenyl phosphonium bromide(CAS No. 1530-32-1) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determine to be greater than 240 °C at 980.9 hPa.
Density:
The bulk density was determined for the test substance Ethyltriphenylphosphonium bromide (CAS No. 1530 -32 -1) following the standard method recommended in the International Pharmacopoeia, fourth Edition, 2014.The bulk density was determine to be 0.6060 g/cm3at 25°C.
Particle size distribution:
The particle size distribution of test substance Ethyltriphenyl phosphonium bromide(CAS No. 1530-32-1) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 106 micron.
Vapour pressure:
The estimated vapour pressure of Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) at 25 deg C was 8.8E-6 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical at 25 °C was estimated according to the OECD Guideline No. 107, adopted on 27th July 1995,”Shake Flask Method”.
The partition coefficient were calculated, from the measured concentration of test chemical in the octanol and water phases. The log Pow value was determined to be -1.160 ± 0.185 at 25 °C.
Water solubility:
The water solubility value for the substance triethyl phenyl phosphonium bromide was found to be 100 mg/l -500mg/Lat 260C. Thus the chemical is considered to be moderately soluble.
Solubility in organic solvents / fat solubility:
The solubility determination of test substance Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in ethanol and DMF was determine to be in range of 1000 g/l- 200 g/l, in acetonitrile solubility ranges from 200-100 g/L,100-50 g/L for acetone whereas the solubility value in toulene was determine to be in the range of < 1g/l respectively at 26 °C.
Surface tension:
Based on the data from ACD labs, surface tension for Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) was predicted to be 40.2 mN/m.
Flash point:
The flash point determination of test substance Ethyltriphenylfosfonium bromide (CAS No. 1530 -32 -1)was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determine to be greater than 180°C at 980.2 hPa.
Auto flammability:
Ethyltriphenylfosfonium bromide did not catch fire on being exposed to air at room temperature of 35 deg C and atmospheric pressure of 960 hPa. This indicates that ethyltriphenylfosfonium bromide is not auto-flammable.
Flammability:
From the experimental values of flammability,ethyltriphenylfosfonium bromideignited when the flame of bunsen burner having temperature of 950 degC was brought in contact with it. Thus it can be concluded thatethyltriphenylfosfonium bromide is flammable only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use,ethyltriphenylfosfonium bromidewas considered non-flammable.
Explosiveness:
According to theoretical considerations based on chemical structure,ethyltriphenylfosfonium bromide does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in ethyltriphenylfosfonium bromide. Thus,as per column 2 of Annex VII this end point was considered for waiver.
Oxidizing properties:
Ethyltriphenylfosfonium bromide was determine to have no oxidising property.
Stability in organic solvents and identity of relevant degradation products:
Ethyltriphenylfosfonium bromide 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 substanceEthyltriphenylfosfonium bromide(CAS No. 1530-32-1) 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 determine to be 6.6 at 30°C.
Dissociation constant:
The experimental pKa value for ethyltriphenylfosfonium bromide was determine to be 0.000000002 at 30 deg C indicating that it has dissociation 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 ethyltriphenylfosfonium bromide is a solid substance and hence this testing was considered scientifically unjustified for ethyltriphenylfosfonium bromide.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, Ethyltriphenylfosfonium bromide was observed to be a White crystalline solid powder.
From other reliable sources & authoritative databases chemical Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) physically appear as a white crystalline solid having faint odour.
Melting point:
The melting point determination of test substance Ethyltriphenylphosphonium bromide(CAS No. 1530-32-1) was done as per the test guideline OECD 102. The method followed was according toCapillary/metal block. The melting point was determine to be in range of 198 °C -205 °C at 981.5 hPa.
From other reliable sources & authoritative databases melting point of Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) is determine to be 207.5 Deg C & in the range between 203 to 210 Deg C.
Boiling Point:
The boiling point determination of test substanceEthyl triphenyl phosphonium bromide(CAS No. 1530-32-1) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determine to be greater than 240 °C at 980.9 hPa.
Density:
The bulk density was determined for the test substance Ethyltriphenylphosphonium bromide (CAS No. 1530 -32 -1) following the standard method recommended in the International Pharmacopoeia, fourth Edition, 2014.The bulk density was determine to be 0.6060 g/cm3at 25°C.
Particle size distribution:
The particle size distribution of test substance Ethyltriphenyl phosphonium bromide(CAS No. 1530-32-1) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 106 micron.
Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) at 25 deg C was 8.8E-6 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of test chemical at 25 °C was estimated according to the OECD Guideline No. 107, adopted on 27th July 1995,”Shake Flask Method” The Solubility of test substance was in ECHA found to be 89.2 g/L.For the Pow estimation, the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After separation, both the water phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the octanol and water phases. The log Pow value was determined to be -1.160 ± 0.185 at 25 °C.
In another study, the partition Coefficient n-octanol/water of test chemical Ethyltriphenylfosfonium bromide (CAS no. 1530 -32 -1) was determined. The study was performed at a temperature of 35°C and pH 4.65, respectively. The log Pow value of test chemical Ethyltriphenylfosfonium bromide was determined to be -0.69 dimensiomless at a temperature of 35°C and pH 4.65, respectively. On the basis of this value, test chemical Ethyltriphenylfosfonium bromide can be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test substance triethyl phenyl phosphonium bromide (CAS No. 1530-32-1) was done as per the shake flask method. The solubility of was determined to be 100 mg/L -500 mg/l at 260C.Thus the chemical is considered to be moderately soluble.
Solubility in organic solvents / fat solubility:
The solubility determination of test substance Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in ethanol and DMF was determine to be in range of 1000 g/l- 200 g/l, in acetonitrile solubility ranges from 200-100 g/L,100-50 g/L for acetone whereas the solubility value in toulene was determine to be in the range of < 1g/l respectively at 26 °C.
Surface tension:
Based on the data from ACD labs, surface tension for Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) was predicted to be 40.2 mN/m.
Flash point:
The flash point determination of test substance Ethyltriphenylfosfonium bromide (CAS No. 1530 -32 -1)was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determine to be greater than 180°C at 980.2 hPa.
From other authoritative databases flash point of Ethyltriphenylfosfonium bromide (CAS No. 1530-32-1) is determine to be greater than 200 Deg C.
Auto flammability:
Ethyltriphenylfosfonium bromide did not catch fire on being exposed to air at room temperature of 35 deg C and atmospheric pressure of 960 hPa. This indicates that ethyltriphenylfosfonium bromide is not auto-flammable.
Flammability:
From the experimental values of flammability,ethyltriphenylfosfonium bromideignited when the flame of bunsen burner having temperature of 950 degC was brought in contact with it. Thus it can be concluded thatethyltriphenylfosfonium bromide is flammable only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use,ethyltriphenylfosfonium bromidewas considered non-flammable.
Explosiveness:
According to theoretical considerations based on chemical structure,ethyltriphenylfosfonium bromide does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in ethyltriphenylfosfonium bromide. Thus,as per column 2 of Annex VII this end point was considered for waiver.
Oxidizing properties:
Ethyltriphenylfosfonium bromide was determine to have no oxidising property.
Stability in organic solvents and identity of relevant degradation products:
Ethyltriphenylfosfonium bromide 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 substanceEthyltriphenylfosfonium bromide(CAS No. 1530-32-1) 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 determine to be 6.6 at 30°C.
Dissociation constant:
The experimental pKa value for ethyltriphenylfosfonium bromide was determine to be 0.000000002 at 30 deg C indicating that it has dissociation 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 ethyltriphenylfosfonium bromide is a solid substance and hence this testing was considered scientifically unjustified for ethyltriphenylfosfonium bromide.
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