N,N,N-trimethylanilinium chloride

Endpoint summary

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, the chemical N,N,N-trimethylanilinium chloride was observed to be an organic white coloured crystalline powder in apperance

Melting point:

The melting point determination of N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was found to be 244.3-247°C at 974.1hPa.

Boiling Point:

Based on available data from authoritative database,boiling point of chemical Trimethylanilinium chloride was determined to be 295.00 °C at 101.3 kPa

Density:

The density of test item N,N,N-trimethylanilinium chloride (CAS No. 138-24-9)was determined following OECD Guideline 109 and according to the Test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus. The mean pour density and tapped density of test item was found to be 0.6559 g/cm³ and 0.7275 g/cm³at 29.6°C and 974.1 hPa

Particle size distribution:

The particle size distribution of test test item N,N,N -trimethylanilinium chloride (CAS No. 138 -24 -9 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 10 micron.

Vapour pressure:

Modified Grain method from MPBPVP v1.43 was used to estimate the vapor pressure of the test chemical.

The vapour pressure of chemical N,N,N-trimethylanilinium chloride was estimated to be 0.00000625 Pa at 25 deg C.

Partition coefficient:

The partition Coefficient n-octanol/water of test chemical N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) 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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.3. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Phenol, Benzene, 2 -Nitrophenol, Nitrobenzene, Diphenylamine having Pow value ranging from 1.5 to 3.4. The Log Pow value of the test chemical N,N,N-trimethylanilinium chloride was determined to be 0.542 ± 0.020 dimensionless at 25°C. On the basis of this value, test chemical N,N,N-trimethylanilinium chloride can be considered to be hydrophilic in nature.

Water solubility:

The water solubility determination of test item N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (N,N,N-trimethylanilinium chloride of 138-24-9 )in water was determine to be 268720 mg/L at 25°C.

Thus N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) is considered to be very soluble in water.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, this testing needs to be carried out only if surface activity is a desired property of the chemical. The chemical N,N,N-trimethylanilinium chloride is used mainly as an intermediate chemical for the manufacture of other chemicals.  Surface activity is not a desired property of N,N,N-trimethylanilinium chloride and hence this end point was considered for waiver.

Flash point:

The flash point determination ofTrimethylanilinium chloride(CAS No. 138-24-9)was done following closed cup method using Pensky-Martens flash point apparatus. The mean flash point was determined to be 164 degree C.Based on the result the test chemical was considered to be non-flammable as per the CLP regulation.

Auto flammability:

N,N,N-trimethylanilinium chloride did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that N,N,N-trimethylanilinium chloride is not auto-flammable.

Flammability:

The chemical N,N,N-trimethylanilinium chloride is a solid in nature. Also does not catch fire spontaneously upon exposure to air under normal conditions of temparature and pressure.Also, the NFPA rating for flammability of this chemical is 0, further supoorting the fact that the chemical is not very likely to be flammable. Thus, this end point was considered for waiver.

Explosiveness:

The lower and upper explosion limits of N,N,N- trimethylanilinium chloride are 1 vol% and 6 vol% respectively.

Oxidizing properties:

In accordance with column 2 of Annex VII of the REACH regulation, the substance N,N,N-trimethylanilinium chloride is Solid in nature and incapable of reacting exothermically with combustible materials, on the basis of the chemical structure. It is an organic substance containing halogen atom chlorine but it does not contain oxygen atoms and the chlorine atom are not chemically bonded to nitrogen or oxygen atoms. Thus, the chemical is unlikely to exhibit oxidising properties and this study was therefore considered for waiver.

pH:

The pH determination of test item N,N,N-trimethylanilinium chloride (CAS No. 138-24-9 ) 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 6.53 at 30 °C.

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. N,N,N-trimethylanilinium chloride is a colorless to  white colored powder.Hence this study can be considered for waiver.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, the chemical N,N,N-trimethylanilinium chloride was observed to be an organic white coloured crystalline powder in apperance

Other supporitng studies from authorative substance databases the appearance of chemical N,N,N-Trimethylanilinium chloride was Colourless to white crystalline organic solid with Inherent odour.

Melting point:

The melting point determination of N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was found to be 244.3-247°C at 974.1hPa.

From authorative database the melting point of test substance N,N,N-trimethylanilinium chloride was determined to be in the range 246 -247 °C,237 °C at which it start sublimes..

Other supporting studies from authoritative database also indicate the melting point results close to key value.

Boiling Point:

Based on available data from authoritative database,boiling point of chemical Trimethylanilinium chloride was determined to be 295.00 °C at 101.3 kPa

Density:

The density of test item N,N,N-trimethylanilinium chloride (CAS No. 138-24-9)was determined following OECD Guideline 109 and according to the Test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density apparatus. The mean pour density and tapped density of test item was found to be 0.6559 g/cm³ and 0.7275 g/cm³at 29.6°C and 974.1 hPa

Particle size distribution:

The particle size distribution of test test item N,N,N -trimethylanilinium chloride (CAS No. 138 -24 -9 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 10 micron.

Vapour pressure:

Modified Grain method from MPBPVP v1.43 was used to estimate the vapor pressure of the test chemical.

The vapour pressure of chemical N,N,N-trimethylanilinium chloride was estimated to be 0.00000625 Pa at 25 deg C.

Partition coefficient:

The partition Coefficient n-octanol/water of test chemical N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) 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 ACN up to 10 ml. Thus, the test solution concentration was 400 mg/l. The pH of test substance was 7.3. The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Phenol, Benzene, 2 -Nitrophenol, Nitrobenzene, Diphenylamine having Pow value ranging from 1.5 to 3.4. The Log Pow value of the test chemical N,N,N-trimethylanilinium chloride was determined to be 0.542 ± 0.020 dimensionless at 25°C. On the basis of this value, test chemical N,N,N-trimethylanilinium chloride can be considered to be hydrophilic in nature.

Water solubility:

The water solubility determination of test item N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of (N,N,N-trimethylanilinium chloride of 138-24-9 )in water was determine to be 268720 mg/L at 25°C.

Thus N,N,N-trimethylanilinium chloride (CAS No. 138-24-9) is considered to be very soluble in water.

The water solubility of N,N,N-trimethylanilinium chloride at 25 deg C for chemical safety assessment was 333000 mg/l.

This values indicates that N,N,N-trimethylanilinium chloride is highly soluble in water.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, this testing needs to be carried out only if surface activity is a desired property of the chemical. The chemical N,N,N-trimethylanilinium chloride is used mainly as an intermediate chemical for the manufacture of other chemicals.  Surface activity is not a desired property of N,N,N-trimethylanilinium chloride and hence this end point was considered for waiver.

Flash point:

The flash point determination ofTrimethylanilinium chloride(CAS No. 138-24-9)was done following closed cup method using Pensky-Martens flash point apparatus. The mean flash point was determined to be 164 degree C.Based on the result the test chemical was considered to be non-flammable as per the CLP regulation.

Auto flammability:

N,N,N-trimethylanilinium chloride did not catch fire on being exposed to air at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that N,N,N-trimethylanilinium chloride is not auto-flammable.

Flammability:

The chemical N,N,N-trimethylanilinium chloride is a solid in nature. Also does not catch fire spontaneously upon exposure to air under normal conditions of temparature and pressure.Also, the NFPA rating for flammability of this chemical is 0, further supoorting the fact that the chemical is not very likely to be flammable. Thus, this end point was considered for waiver.

Explosiveness:

The lower and upper explosion limits of N,N,N- trimethylanilinium chloride are 1 vol% and 6 vol% respectively.

Oxidizing properties:

In accordance with column 2 of Annex VII of the REACH regulation, the substance N,N,N-trimethylanilinium chloride is Solid in nature and incapable of reacting exothermically with combustible materials, on the basis of the chemical structure. It is an organic substance containing halogen atom chlorine but it does not contain oxygen atoms and the chlorine atom are not chemically bonded to nitrogen or oxygen atoms. Thus, the chemical is unlikely to exhibit oxidising properties and this study was therefore considered for waiver.

pH:

The pH determination of test item N,N,N-trimethylanilinium chloride (CAS No. 138-24-9 ) 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 6.53 at 30 °C.

From other reliable sources pH value of chemical N,N,N-trimethylanilinium chloride was determined to be 4.5 at 20 deg C and at concentration of 333 gm/L.

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. N,N,N-trimethylanilinium chloride is a colorless to  white colored powder.Hence this study can be considered for waiver.