N,N-diethylaniline

Endpoint summary

Description of key information

Appearance/physical state/colour:

On basis of visual observation/ Olfactory property, the test substance was observed to be a light yellow coloured organic liquid at 27°C and 966 hPa.

From other reliable sources, the test chemical was reported as a colorless to yellow organic liquid.

Melting point/freezing point:

The Freezing point determination of test chemical was done using crushed ice-salt cooling bath. No crystallization was observed up to -13.8°C. Hence, the freezing point was inferred to be<-13.8°C at976.8hPa.

The other reported data from reliable handbook and authoritative database inidcates the freezing point of test chemical as 38.8 degree C.

Boiling point:

The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be 218 °C at 977.3 hPa.

Also from the other reliable sources it was observed that the boiling point of test chemical ranges from 215 to 216.3 degree celcious.

Density:

The density of test substance was determined following according to OECD guideline 109 by pycnometer method. The density of the test substance was determined to be 0.9270 gm/cm³at 20 °C and 976.3 hPa.

From other reliable sources, density of test chemical was observed to be in the range of 0.866 to 0.9307 gm/cm3 and the key value is found to be within the range of data for density.

Particle size distribution (Granulometry):

Particle size distribution is a property that is relevant only to solids. Since test chemical is liquid, this testing was not scientifically possible and hence this end point was considered for waiver

Vapour pressure:

The vapour pressure of test chemical was reported as 18.1318 Pa (0.136 mmHg) at 25°C.

Partition coefficient:

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. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene were chosen having log Pow range from 0.5 to 4.6. The Log Pow value was determined to be 3.904 ± 0.038 dimensionless at 25°C. This value indicates that the substance is hydrophilic in nature.

Water solubility:

Water solubility of the test chemical was determined to be 139 mg/L at 25 degree C.

From other reliable sources, water solubility of test chemical was reported to be in the range of 130 - 140 mg/L. This indicates that the test chemical is moderately soluble in water.

Solubility in organic solvents / fat solubility:

The solubility determination of test substanceN, N- diethyl aniline(CAS No.91-66-7) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone, acetonitrile, ethanol, toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in methanol was found to be in the range of 200 – 1000g/l respectively at 26 °C.

Surface tension:

The surface tension of N,N-diethylaniline was estimated as 34.51 mN/m at 25°C using the ACD/Labs’ ACD/PhysChem Suite. This value is equivalent to 27.608 mN/m at 20°C.

Flash point:

The flash point determination of test substance was performed by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was found to be 81.6 °C at 976.9 hPa.

Also data from other reliable sources is reported to be in the range of 83 -85 degree celcious and the selected key value is near the range of flash point. This values confirms that the substance is not flammable in nature.

Auto flammability:

Test chemical did not catch fire spontaneously on being exposed to the atmosphere at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that it is not auto-flammable.

Also from other reliable source it is found that the self ignition temperature of the substance is 630 degree celcious.

Flammability:

From the experimental value of flammability, test chemical ignited when the flame of bunsen burner having temperature as high as 950°C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950°C. However, since such high temperatures are not found under normal circumstances of transportation and use, hence, test chemical was considered non-flammable for chemical safety assessment.

Explosiveness:

In accordance with column 2 of Annex VII, this end point was considered for waiver since, test chemical does not exhibit explosive properties as there are no chemical groups associated with explosive properties in the molecule.

Oxidising properties:

N,N-diethylaniline was not found to exhibit oxidising property.

Stability in organic solvents and identity of relevant degradation products:

N,N-diethylaniline was found to be stable in organic solvent dichloromethane 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 substance was performed as per the test guideline OECD 122. The pH of the test solution was determined with the help ofpH meter which was determined to be 6.6 at 25 °C indicating the substance is acidic in nature

Dissociation constant:

The dissociation constant (pKa) of test chemical was reported to be 6.57 indicating the chemical is having dissociation properties.

Viscosity:

The viscosity determination of test substance was done as per the test guideline OECD 114 using Redwood Viscometer No. 1.Kinematic viscosity (experimental) of test substance at 20⁰C and 40⁰C was determined to be 16.948 mm²/sec and 14.388mm²/s,respectively. Also, Dynamic viscosity (calculated) of test substance at 20⁰C and 40⁰C was determined to be 15.710 mPa.S and 13.337 mPa.S, respectively.

From other experimental study report, the dynamic viscosity of test chemical using Ostwald Viscometer was reportd to be 8.685 mPa s at room temperature of 27°C.

Additional information

Appearance/physical state/colour:

On basis of visual observation/ Olfactory property, the test substance was observed to be a light yellow coloured organic liquid at 27°C and 966 hPa.

From other reliable sources, the test chemical was reported as a colorless to yellow organic liquid.

Melting point/freezing point:

The Freezing point determination of test chemical was done using crushed ice-salt cooling bath. No crystallization was observed up to -13.8°C. Hence, the freezing point was inferred to be<-13.8°C at976.8hPa.

The other reported data from reliable handbook and authoritative database inidcates the freezing point of test chemical as 38.8 degree C.

Boiling point:

The boiling point determination of test substance was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be 218 °C at 977.3 hPa.

Also from the other reliable sources it was observed that the boiling point of test chemical ranges from 215 to 216.3 degree celcious.

Density:

The density of test substance was determined following according to OECD guideline 109 by pycnometer method. The density of the test substance was determined to be 0.9270 gm/cm³at 20 °C and 976.3 hPa.

From other reliable sources, density of test chemical was observed to be in the range of 0.866 to 0.9307 gm/cm3 and the key value is found to be within the range of data for density.

Particle size distribution (Granulometry):

Particle size distribution is a property that is relevant only to solids. Since test chemical is liquid, this testing was not scientifically possible and hence this end point was considered for waiver

Vapour pressure:

The vapour pressure of test chemical was reported as 18.1318 Pa (0.136 mmHg) at 25°C.

Partition coefficient:

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. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared.

The reference substances were 4-Acetylpyridine, Benzene, Biphenyl, Toluene, Ethylbenzene, Naphthalene, n-Butylbenzene were chosen having log Pow range from 0.5 to 4.6. The Log Pow value was determined to be 3.904 ± 0.038 dimensionless at 25°C. This value indicates that the substance is hydrophilic in nature.

Water solubility:

Water solubility of the test chemical was determined to be 139 mg/L at 25 degree C.

From other reliable sources, water solubility of test chemical was reported to be in the range of 130 - 140 mg/L. This indicates that the test chemical is moderately soluble in water.

Solubility in organic solvents / fat solubility:

The solubility determination of test substanceN, N- diethyl aniline(CAS No.91-66-7) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone, acetonitrile, ethanol, toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in methanol was found to be in the range of 200 – 1000g/l respectively at 26 °C.

Surface tension:

The surface tension of N,N-diethylaniline was estimated as 34.51 mN/m at 25°C using the ACD/Labs’ ACD/PhysChem Suite. This value is equivalent to 27.608 mN/m at 20°C.

Flash point:

The flash point determination of test substance was performed by closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of the test substance was found to be 81.6 °C at 976.9 hPa.

Also data from other reliable sources is reported to be in the range of 83 -85 degree celcious and the selected key value is near the range of flash point. This values confirms that the substance is not flammable in nature.

Auto flammability:

Test chemical did not catch fire spontaneously on being exposed to the atmosphere at room temperature of 27°C and atmospheric pressure of 966 hPa. This indicates that it is not auto-flammable.

Also from other reliable source it is found that the self ignition temperature of the substance is 630 degree celcious.

Flammability:

From the experimental value of flammability, test chemical ignited when the flame of bunsen burner having temperature as high as 950°C was brought in contact with it. Thus it can be concluded that test chemical is flammable only at high temperature of about 950°C. However, since such high temperatures are not found under normal circumstances of transportation and use, hence, test chemical was considered non-flammable for chemical safety assessment.

Explosiveness:

In accordance with column 2 of Annex VII, this end point was considered for waiver since, test chemical does not exhibit explosive properties as there are no chemical groups associated with explosive properties in the molecule.

Oxidising properties:

N,N-diethylaniline was not found to exhibit oxidising property.

Stability in organic solvents and identity of relevant degradation products:

N,N-diethylaniline was found to be stable in organic solvent dichloromethane 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 substance was performed as per the test guideline OECD 122. The pH of the test solution was determined with the help ofpH meter which was determined to be 6.6 at 25 °C indicating the substance is acidic in nature

Dissociation constant:

The dissociation constant (pKa) of test chemical was reported to be 6.57 indicating the chemical is having dissociation properties.

Viscosity:

The viscosity determination of test substance was done as per the test guideline OECD 114 using Redwood Viscometer No. 1.Kinematic viscosity (experimental) of test substance at 20⁰C and 40⁰C was determined to be 16.948 mm²/sec and 14.388mm²/s,respectively. Also, Dynamic viscosity (calculated) of test substance at 20⁰C and 40⁰C was determined to be 15.710 mPa.S and 13.337 mPa.S, respectively.

From other experimental study report, the dynamic viscosity of test chemical using Ostwald Viscometer was reportd to be 8.685 mPa s at room temperature of 27°C.