3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride

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 Yellowish to orange powder. From other reliable sources & authoritative databases test chemical is yellowish – orange odorless powder.

 

Melting point:

The melting point determination of 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4- yl)azo]-N,N,N-trimethylanilinium chloride (CAS No. 68391-31-1) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and Mean Melting Point was found to be 148.5 °C - 156.3°C at 971.7hPa.

From other reliable sources & authoritative databases melting point of test chemical is determine to be 163 -169°C.

 

Boiling point:

The boiling point determination of Test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1Hpyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride (CAS No. 68391-31-1 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be greater than 250°C at 974.3 hPa

 

Density:

The mean pour density and tapped density of 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1Hpyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride (CAS No. 68391-31-1) was observed to be 0.2568 g/cm³ and 0.3337 g/cm³at 27.4 °C and 972.1 hPa.

 

Particle size:

The particle size distribution of test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No. 68391-31-1) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 10 micron.

 

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of test substance using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of test substance at 25 Deg C was 4.93E-15 Pa.

 

Partition coefficient:

The partition Coefficient n-octanol/water of 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. 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, Cinnamic 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 determine to be 1.140± 0.000 at 25°C.

 

Water solubility:

The water solubility determination of test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) 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 4750.39 mg/L at 28°C.Thus the test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) is considered to be soluble in water.

Surface tension:

The study does not need to be conducted because surface activity is not a desired property of the material.

 

Flash point:

The flash point determination of test substance3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) 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 determined to be 198 °C at 974.2 hPa.

 

Auto-flammability:

The test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) did not catch fire on being exposed to air at room temperature. This indicates that Test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) is not auto-flammable.

 

Flammability:

The test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) 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 Test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Test chemical was considered non-flammable.

 

Explosiveness:

According to theoretical considerations based on chemical structure, the test substance does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties. Thus, as per column 2 of Annex VII this end point was considered for waiver.

 

Oxidizing property:

End point of Redox Titration for Test item 3 -[(4,5 -dihydro-3 -methyl-5 -oxo-1 -phenyl-1H-pyrazol-4 -yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391 -31 -1) is 125.9 mg/100g. This value indicate that N,N-diethyl-3 -oxobutyramide is oxidising.

   

pH:

The pH determination of test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,Ntrimethylanilinium chloride (CAS No 68391-31-1) was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 2.52at 29 °C.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, test chemical was observed to be a Yellowish to orange powder. From other reliable sources & authoritative databases test chemical is yellowish – orange odorless powder.

 

Melting point:

The melting point determination of 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4- yl)azo]-N,N,N-trimethylanilinium chloride (CAS No. 68391-31-1) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and Mean Melting Point was found to be 148.5 °C - 156.3°C at 971.7hPa.

From other reliable sources & authoritative databases melting point of test chemical is determine to be 163 -169°C.

 

Boiling point:

The boiling point determination of Test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1Hpyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride (CAS No. 68391-31-1 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be greater than 250°C at 974.3 hPa

 

Density:

The mean pour density and tapped density of 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1Hpyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride (CAS No. 68391-31-1) was observed to be 0.2568 g/cm³ and 0.3337 g/cm³at 27.4 °C and 972.1 hPa.

 

Particle size:

The particle size distribution of test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No. 68391-31-1) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determine to be in the range of 150 micron to 10 micron.

 

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of test substance using MPBPVP v1.43 of EPI SUITE. The estimated vapour pressure of test substance at 25 Deg C was 4.93E-15 Pa.

 

Partition coefficient:

The partition Coefficient n-octanol/water of 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. 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, Cinnamic 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 determine to be 1.140± 0.000 at 25°C.

 

Water solubility:

The water solubility determination of test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) 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 4750.39 mg/L at 28°C.Thus the test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) is considered to be soluble in water.

 

Surface tension:

The study does not need to be conducted because surface activity is not a desired property of the material.

Flash point:

The flash point determination of test substance3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) 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 determined to be 198 °C at 974.2 hPa.

 

Auto-flammability:

The test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) did not catch fire on being exposed to air at room temperature. This indicates that Test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) is not auto-flammable.

 

Flammability:

The test chemical 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391-31-1) 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 Test chemical is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Test chemical was considered non-flammable.

 

Explosiveness:

According to theoretical considerations based on chemical structure, the test substance does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties. Thus, as per column 2 of Annex VII this end point was considered for waiver.

 

Oxidizing property:

End point of Redox Titration for Test item 3 -[(4,5 -dihydro-3 -methyl-5 -oxo-1 -phenyl-1H-pyrazol-4 -yl)azo]-N,N,N-trimethylanilinium chloride(CAS No.68391 -31 -1) is 125.9 mg/100g. This value indicate that N,N-diethyl-3 -oxobutyramide is oxidising.

 

 

pH:

The pH determination of test item 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,Ntrimethylanilinium chloride (CAS No 68391-31-1) was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 2.52at 29 °C.