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EC number: 204-526-3 | CAS number: 122-18-9
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, Cetalkonium chloride (CAS No. 122-18-9) was observed to be a white solid.
Melting point:
The melting point determination of Test item Cetalkonium chloride (CAS No. 122-18-9 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting temperature range determine determine to be 111.6-113.3°C at 973.5 hPa.
Boiling Point:
The boiling point determination of Test item Cetalkonium chloride (CAS No. 122-18-9 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The was determine to be 163°C at 974.0 hPa.
Density:
The density of Test item Cetalkonium chloride (CAS No. 122-18-9 ) 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 0.4826 g/cm³ and 0.5064 g/cm³ at 20°C and 973.2 hPa.
Particle size distribution:
The particle size distribution of test item Cetalkonium chloride (CAS No. 122-18-9 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 10 micron to 150 micron.
Vapour pressure:
The estimated vapour pressure of the test substance Cetalkonium chloride (CAS no. 122-18-9) at 25 deg C was 1.24E-008 Pa.
Partition coefficient:
The partition Coefficient n-octanol/water of chemical benzyl(hexadecyl)dimethylazanium chloride (Cetalkonium chloride) (CAS No. 122 -18 -9) was determined by the Reverse Phase High Performance Liquid Chromatography 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 5.8. The reference substances were chosen according to functionally similarity with the test substance and calibration graph was prepared. The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical benzyl(hexadecyl)dimethylazanium chloride was determined to be 3.022 ± 0.009 at 25°C. Based on the experimental value, chemical benzyl(hexadecyl)dimethylazanium chloride can be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test item Cetalkonium chloride (CAS No. 122-18-9) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (Cetalkonium chloride of CAS No: 122-18-9) in water was found to be 5093.02 mg/L at 25°C.
Thus Cetalkonium chloride is considered to be 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 Cetalkonium chloride (CAS no. 122-18-9) is used as a Laboratory chemicals, and Manufacture of substances, etc. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
The flash point determination of Test item Cetalkonium chloride (CAS No. 122-18-9 )was done. The method was closed cup method using Pensky-Martens Flash Point Apparatus. The mean flash point of the test item was determine to be 62°C at 974.0 hPa.
Auto flammability:
Cetalkonium chloride (CAS No. 122-18-9 ) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Cetalkonium chloride (CAS No. 122-18-9 ) is not auto-flammable.
Flammability:
Cetalkonium chloride (CAS No. 122-18-9 ) 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 Cetalkonium chloride (CAS No. 122-18-9 ) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Cetalkonium chloride (CAS No. 122-18-9 ) was considered 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 oxidizing properties and hence the classification procedure does not need to be applied.
pH:
The pH determination of test item Cetalkonium chloride (CAS No. 122-18-9 ) was done as per the test guideline OECD 122. The mean pH of the test solutionwas determined with the help of digital pH meter. The mean pH was determine to be 5.55 at 29.2 °C.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, Cetalkonium chloride (CAS No. 122-18-9) was observed to be a white solid.
From other reliable sources & authoritative databases chemical Cetalkonium chloride physically appear as a colorless crystalline odorless solid powder .
Melting point:
The melting point determination of Test item Cetalkonium chloride (CAS No. 122-18-9 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The Mean Melting temperature range determine determine to be 111.6-113.3°C at 973.5 hPa.
Boiling Point:
The boiling point determination of Test item Cetalkonium chloride (CAS No. 122-18-9 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The was determine to be 163°C at 974.0 hPa.
Density:
The density of Test item Cetalkonium chloride (CAS No. 122-18-9 ) 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 0.4826 g/cm³ and 0.5064 g/cm³ at 20°C and 973.2 hPa.
Particle size distribution:
The particle size distribution of test item Cetalkonium chloride (CAS No. 122-18-9 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 10 micron to 150 micron.
Vapour pressure:
The estimated vapour pressure of the test substance Cetalkonium chloride (CAS no. 122-18-9) at 25 deg C was 1.24E-008 Pa.
Partition coefficient:
Based on the available data in a key study from experimental study report,the partition Coefficient n-octanol/water of chemical benzyl(hexadecyl)dimethylazanium chloride (Cetalkonium chloride) (CAS No. 122 -18 -9) was determined by the Reverse Phase High Performance Liquid Chromatography 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 5.8. The reference substances were chosen according to functionally similarity with the test substance and calibration graph was prepared. The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene having Pow value ranging from 0.5 to 4.6. The Log Pow value of the test chemical benzyl(hexadecyl)dimethylazanium chloride was determined to be 3.022 ± 0.009 at 25°C.
In an another supporting study from peer reviewed journal,octanol water partition coefficient of the test substance benzyl(hexadecyl)dimethylazanium chloride (cetylbenzyldimethylammonium chloride (HBDMAC)) (CAS no. 122 -18 -9) was using theshake-flask method.The study was performed using 25 mL water-saturated octanol and 1L of octanol-saturated, double distilled water. The mixtures were shaken for 6 hours and allowed to settle for 24 hours prior to their use. The test chemical benzyl(hexadecyl)dimethylazanium chloride was dissolved in the octanol-saturated water, the water-saturated octanol added and shaken for6hours. After settling for 18 hours, the aqueous phase was analysed for test chemical benzyl(hexadecyl)dimethylazanium chloride.The partition coefficient (log Pow) value of the substance benzyl(hexadecyl)dimethylazanium chloride was determined to be 3.62.
Thus, on the basis of available information, the logKow value of the chemical benzyl(hexadecyl)dimethylazanium chloride was determined to be ranges from 3.022 to 3.62, respectively. On the basis of this value, chemical benzyl(hexadecyl)dimethylazanium chloride can be considered to be hydrophilic in nature.
Water solubility:
The water solubility determination of test item Cetalkonium chloride (CAS No. 122-18-9) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (Cetalkonium chloride of CAS No: 122-18-9) in water was found to be 5093.02 mg/L at 25°C.
Thus Cetalkonium chloride is considered to be soluble in water.
From other authoritative dataabse water solubility of chemical Cetalkonium chloride is concluded to be 8.5 g/L. From this water solubility value it is concluded that Cetalkonium chloride is 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 Cetalkonium chloride (CAS no. 122-18-9) is used as a Laboratory chemicals, and Manufacture of substances, etc. For this use, surface activity is not an important property. Hence this study was considered for waiver.
Flash point:
The flash point determination of Test item Cetalkonium chloride (CAS No. 122-18-9 )was done. The method was closed cup method using Pensky-Martens Flash Point Apparatus. The mean flash point of the test item was determine to be 62°C at 974.0 hPa.
Auto flammability:
Cetalkonium chloride (CAS No. 122-18-9 ) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Cetalkonium chloride (CAS No. 122-18-9 ) is not auto-flammable.
Flammability:
Cetalkonium chloride (CAS No. 122-18-9 ) 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 Cetalkonium chloride (CAS No. 122-18-9 ) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Cetalkonium chloride (CAS No. 122-18-9 ) was considered 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 oxidizing properties and hence the classification procedure does not need to be applied.
pH:
The pH determination of test item Cetalkonium chloride (CAS No. 122-18-9 ) was done as per the test guideline OECD 122. The mean pH of the test solutionwas determined with the help of digital pH meter. The mean pH was determine to be 5.55 at 29.2 °C.
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