3-diethylaminophenol

Endpoint summary

Additional information

Appearance/physical state/colour :

On the basis of physical observation and using the sense of smell 3-diethylaminophenol was found to be an organic solid, with black colour and characteristic odour.

Melting point/freezing point :

The melting point of 3-diethylaminophenol by the capillary method was found to be 49 deg C at an atmospheric pressure of 955 hPa. There was no decomposition & sublimation observed of 3-diethylaminophenol at the melting point. This value when converted to 101325 Pa is equivalent to 51.98 deg C. The supporting studies shows value in the range of 72 -78 deg C which could be due to difference in the estimation condition. However for the purpose of chemical safety assessment Key stydy value 51.98 deg C shall be considered

Boiling point :

The boiling point of 3-diethylaminophenol by the distillation method was found to be 440 degC at the atmospheric pressure of 955 hPa. No decomposition of 3-diethylaminophenol was observed at the boiling point.This value when converted to 101325 Pa is equivalent to 466.83 deg C. The supporting studies shows value in the range of 265-280 deg C which could be due to difference in the estimation condition. Therefore for the purpose of chemical safety assessment key study value 466.83 deg C shall be considered.

Density :

The bulk density of 3-diethylaminophenol by the mass by volume method was found to be 1.04g/cm3 at room temperature of 23 °C .This value when converted to 20 deg C is equivalent to 0.9043g/cm3.

Particle size distribution (Granulometry) :

The particle size distribution (granulometry) of 3-diethylaminophenol by the sieve analysis method was not possible as the substance is rock solid and so particle size distribution was not possible.

Vapour pressure :

According to EPI (Estimation Programs Interface) Suite vapour pressure of 3-diethylaminophenol at 25 degC is estimated as 0.000809 mm Hg by means of Modified Grain Method

Partition coefficient :

The experimental value of octanol water partition co-efficient (log Pow) of 3-diethylaminophenol by Shake flask method was found to be 0.9294 at temperature 23 degC and pH of 7.3.This value indicates that 3-diethylaminophenol is hydrophilic in nature.

Water solubility :

The experimental value of the water solubility of 3-diethylaminophenol was found to be 1500 mg/L at temperature of 23degC indicating that 3-diethylaminophenol is soluble in water.The supporting study shows value different from key studies which could be due to difference in estimation conditions.

Solubility in organic solvents / fat solubility :

The experimental value of solubility of 3-diethylaminophenol in methanol at temperature of 23 degC was found to be 4700mg/L indicating that 3-diethylaminophenol is soluble in methanol.This value at 20 deg C is equivalent to 4086.95 mg/L. The solubility of 3-diethylaminophenol in Petroleum ether at temperature of 23 degC was found to be 2400mg/L indicating that 3-diethylaminophenol is soluble in Petroleum ether.

Surface tension :

In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property of 3-diethylaminophenol.

Flash point :

The experimental value of flash point for 3-diethylaminophenol by the open cup method was found to be 109 deg C at 955 hPa atmospheric pressure. This value when converted to 101325 Pa is equivalent to 115.64 deg C.

Auto flammability :

3-diethylaminophenol did not catch fire on being exposed to air at room temperature of 23 deg C and atmospheric pressure of 955 hPa. This indicates that 3-diethylaminophenol is not auto-flammable.

Flammability :

From the experimental values of flammability,3-diethylaminophenolignited when the flame of bunsen burner having temperature of 950 degC was brought in contact with it. Thus it can be concluded that3-diethylaminophenolis flammable only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use,3-diethylaminophenol was considered non-flammable.

Explosiveness :

According to theoretical considerations based on chemical structure, 3-diethylaminophenol does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in 3-diethylaminophenol. Thus, as per column 2 of Annex VII this end point was considered for waiver.

Oxidising properties :

3-diethylaminophenolwas found to be non - oxidising since 6051 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of 3-diethylaminophenol.

Stability in organic solvents and identity of relevant degradation products :

3-diethylaminophenol was found to be stable in organic solvent dichloro methane 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 :

1% by volume solution of 3-diethylaminophenolwas found to exhibit a pH of 8.11 at 24 deg C. Thus 1% by volume solution of 3-diethylaminophenolis relatively basic in nature.

Dissociation constant :

The experimental pKa value for 3-diethylaminophenol was found to be 0.000000000000000995 (average pKa value) at 23 degC indicating that the chemical has dissociation properties. This value at 20 deg C is equivalent to 0.0000000000000008652174.

Viscosity :

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and 3-diethylaminophenol is a solid substance and hence this testing was considered scientifically unjustified for 3-diethylaminophenol.