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EC number: 200-270-1 | CAS number: 56-37-1
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation, the appearance of the substance, Benzyltriethylammonium chloride is observed to be a white solid crystalline powder organic compound.
Melting point:
The mean melting point of Triethyl benzyl ammonium chloride (CAS No. 56-37-1) was determine be 183 °C at 968.13 hPa.
Boiling Point:
The mean boiling point of Triethyl benzyl ammonium chloride (CAS No. 56-37-1) is greater than 250°C at 969.1 hPa.
Density:
The mean pour density and tapped density of Triethyl benzyl ammonium chloride (CAS No. 56-37-1) was determine to be 0.6458 g/cm3 and 0.7417 g/cm3 at 28.05°C and 969.1 hPa.
Particle size distribution:
The particle size distribution of test item Triethyl benzyl ammonium chloride (CAS No. 56-37-1) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 microns to 75 microns
Vapour pressure:
The experimental vapour pressure of the test chemical benzyltriethylammonium chloride at 298.15 K is determined to be 2.47 kPa.
Partition coefficient
Based on the available data from study report,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. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with MeOH up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.2. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Triphenylamine Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 2.7 to 5.7. The Log Pow value of the test chemical was determined to be 1.394 ± 0.005 dimensionless at 25°C. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
The water solubility value for the test item Triethyl benzyl ammonium chloride (CAS NO. 56-37-1) was found to be 200000 mg/L at 26.1 °C
Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The chemical Benzyltriethylammonium chloride is used as a laboratory chemical and phase transfer catalyst. For this use, surface activity is not desired property. Hence this study was considered for waiver.
Flash point:
The mean flash point of Triethyl benzyl ammonium chloride (CAS No. 56-37-1) is 155 °C at 967.33 hPa.
Auto flammability:
Benzenemethanaminium, n,n,n-triethyl-, chloride did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. Also it was found that the self ignition temperature of the substance Benzenemethanaminium, n,n,n-triethyl-, chloride was estimated to be greater than 300 degree celcious. Thus Benzenemethanaminium, n,n,n-triethyl-, chloride is considered to be not auto flammable substance.
Flammability:
Benzenemethanaminium, N,N,N-triethyl-, chloride; N-benzyl-N,N-diethylethanaminium chloride 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 Benzenemethanaminium, N,N,N-triethyl-, chloride; N-benzyl-N,N-diethylethanaminium chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Benzenemethanaminium, N,N,N-triethyl-, chloride; N-benzyl-N,N-diethylethanaminium chloride was considered non-flammable.
Explosiveness:
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted since there are no chemical groups associated with explosive properties present in the molecule of Benzyltriethylammonium chloride. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".
Oxidizing properties:
In accordance with column 2 of Annex VII of the REACH regulation, the substance Benzyltriethylammonium chloride is incapable of reacting exothermically with combustible materials on the basis of the chemical structure. It is an organic substance not containing oxygen but chloride atom but these elements are not chemically bonded to nitrogen or oxygen. Thus, the chemical is considered to be "Non-oxidising".
Stability in organic solvents and identity of relevant degradation products:
The study does not need to be conducted because the stability of the substance is not considered to be critical.
pH:
The pH determination of test item Triethyl benzyl ammonium chloride(CAS No.56-37-1) was performed following OECD guideline 122. pH of 1% w/v solution in water was measured with the help of pH meter and it was observed to be 9.94 at 29 °C. The test chemical was judged to be basic in nature.
Dissociation constant:
The study does not need to be conducted because the analytical method is not sensitive enough.
Viscosity:
In accordance with Section 2 of REACH Annex XI, information requirement section 7.17, this study cannot be conducted on solid materials or gases. According to ECHA Chapter 7 guidance, viscosity measurement is only relevant to liquids.Benzytriethylammonium chloride is a white crystalline solid. Hence this study is considered for waiver.
Additional information
Appearance:
On the basis of physical observation, the appearance of the substance, Benzyltriethylammonium chloride is observed to be a white solid crystalline powder organic compound.
Other supporting data from handbook and authoritative database, also observed the appearance of Triethyl benzyl ammonium chloride (CAS No. 56-37-1) as a white crystalline powder with characteristic odor and white to yellow solid organic compound.
Melting point:
The melting point determination of Triethyl benzyl ammonium chloride(CAS No.56-37-1)was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting pointwas determine to be183 °C at 968.13 hPa.
Other supporting data from authoritative database, also exhibited the Melting point of Triethyl benzyl ammonium chloride (CAS No. 56-37-1) as 190 degree C & 185 Deg C.
Boiling Point:
The boiling point determination ofTriethyl benzyl ammonium chloride(CAS No.56-37-1)was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determine to be greater than 250°C at 969.1 hPa.
Density:
The mean density of test itemTriethyl benzyl ammonium chloride(CAS No.56-37-1)was determined following OECD Guideline 109 and according to the International Pharmacopoeia, Fourth Edition, 2014 using Pour and tap density method.The mean pour density and tapped density of the test item was determine to be0.6458 g/cm3and 0.7417 g/cm3at 28.05 °C and 969.1 hPa.
Other supporting data from authoritative databases, also exhibited the bulk density of the test substance as 0.7 g/cm3 and density as 1.07 g/cm3.
Particle size distribution:
The particle size distribution of test item Triethyl benzyl ammonium chloride (CAS No. 56-37-1) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 microns to 75 microns
Vapour pressure:
The vapor pressures of Triethyl benzyl ammonium chloride(CAS No.56-37-1) solutions were measured experimentally and correlated by the Patil model. The experimental vapour pressure of the test chemical benzyltriethylammonium chloride at 298.15 K is determined to be 2.47 KPa.
Partition coefficient
Based on the available data in a key study from study report,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. A test item solution was prepared by accurately weighing 4 mg of test item and diluted with MeOH up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.2. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Triphenylamine Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 2.7 to 5.7. The Log Pow value of the test chemical was determined to be 1.394 ± 0.005 dimensionless at 25°C.
Additional study from authoritative and modelling database indicates that the octanol waterpartition coefficient (log Pow) value of the test chemical was estimated to be -1.0 dimensionless.
Thus, based on the available information, the logPow valueof the test chemical ranges from -1.0 to 1.394 dimensionless. On the basis of this value, test chemical can be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test the test item Triethyl benzyl ammonium chloride (CAS NO. 56-37-1) was done as per the shake flask method. The solubility was found to be 200000 mg/L at 26.1 °C .
Other supporting data from authoritative databases, also determined the water solubility ofBenzyltriethylammonium chloride as 630000 mg/l at 20 deg C and 224000 mg/L at 25 deg C.
Therefore, on the basis of obtained values the Benzyltriethylammonium chloride was considered to be very soluble in water.
Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The chemical Benzyltriethylammonium chloride is used as a laboratory chemical and phase transfer catalyst. For this use, surface activity is not desired property. Hence this study was considered for waiver.
Flash point:
The flash point determination of Triethyl benzyl ammonium chloride (CAS No.56-37-1) was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determine to be 155 °C at 967.33hPa. Based on obtained value the given test substance is not calssified as flammable.
Auto flammability:
Benzenemethanaminium, n,n,n-triethyl-, chloride did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. Also it was found that the self ignition temperature of the substance Benzenemethanaminium, n,n,n-triethyl-, chloride was estimated to be greater than 300 degree celcious. Thus Benzenemethanaminium, n,n,n-triethyl-, chloride is considered to be not auto flammable substance.
Flammability:
Benzenemethanaminium, N,N,N-triethyl-, chloride; N-benzyl-N,N-diethylethanaminium chloride 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 Benzenemethanaminium, N,N,N-triethyl-, chloride; N-benzyl-N,N-diethylethanaminium chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Benzenemethanaminium, N,N,N-triethyl-, chloride; N-benzyl-N,N-diethylethanaminium chloride was considered non-flammable.
Explosiveness:
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted since there are no chemical groups associated with explosive properties present in the molecule of Benzyltriethylammonium chloride. Thus, this end point was considered for waiver and the chemical is considered to be "Non explosive".
Oxidizing properties:
In accordance with column 2 of Annex VII of the REACH regulation, the substance Benzyltriethylammonium chloride is incapable of reacting exothermically with combustible materials on the basis of the chemical structure. It is an organic substance not containing oxygen but chloride atom but these elements are not chemically bonded to nitrogen or oxygen. Thus, the chemical is considered to be "Non-oxidising".
Stability in organic solvents and identity of relevant degradation products:
The study does not need to be conducted because the stability of the substance is not considered to be critical.
pH:
The pH determination of test item Triethyl benzyl ammonium chloride(CAS No.56-37-1) was performed following OECD guideline 122. pH of 1% w/v solution in water was measured with the help of pH meter and it was observed to be 9.94 at 29 °C. The test chemical was judged to be basic in nature.
Other supporting data also suggest the chemical is basic in nature.
Dissociation constant:
The study does not need to be conducted because the analytical method is not sensitive enough.
Viscosity:
In accordance with Section 2 of REACH Annex XI, information requirement section 7.17, this study cannot be conducted on solid materials or gases. According to ECHA Chapter 7 guidance, viscosity measurement is only relevant to liquids.Benzytriethylammonium chloride is a white crystalline solid. Hence this study is considered for waiver.
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