Phenetole

Endpoint summary

Additional information

Appearence/physical state colour:

On the basis of physical observation and using the sense of smell, Phenetole was found to be a colorless organic liquid with characteristic odour at 23°C and 955 hPa.

Melting/Freezing point:

No.of studies reviewed for Melting point/freezing point endpoint from reliable sources having Klimish rating 2 and 4.

The summary of the results are presented below

Sr. no.	Endpoint name	values	units
1.	freezing point	-30	Deg.C
2.	freezing point	-44.59	Deg.C
3.	freezing point	-29.5	Deg.C
4.	freezing point	-29.26	Deg.C
5.	freezing point	-33	Deg.C

 

Based on the various weight of evidence studies the freezing point of test substance phenetole varies between -29.26 to -44.59 Deg.C.

Boiling Point:

The boiling point of phenetole by the distillation method was found to be 182 degC at an atmospheric pressure of 955 hPa. No decomposition of phenetole was observed at the boiling point.This boiling point value when converted at 101325 Pa is equivalent to 193.101 degC.The other authoritative sources of information though indicate the boiling point to be between 168 degC to 173 degC.However for the purpose of the dossier as well as for the chemical safety report, the boiling point of the key study which is 182 degC shall be considered.

Density:

Mass by volume method was used to derive the density of the substance and density of Phenetole was found to be 0.886 g/cm3 at 23°C. This density value at 20°C equivalent to 0.770 g/cm3.

Particle size distrtibution:

Granulometry (particle size distribution) is a property that is relevant only to solids. Since phenetole is a liquid substance this testing was not scientifically possible and hence this end point was considered to be waived.

Vapour Pressure:

No. of studies reviewed for Vapour pressure endpoint from reliable sources having Klimish rating 2 and 4

The summary of the results are presented below

Sr. no.	Endpoint name	values	units
1.	Vapour pressure	1.7	mm Hg
2.	Vapour pressure	1.53	mm Hg
3.	Vapour pressure	1.5	mm Hg
4.	Vapour pressure	2.01	mm Hg

 

From various weight of evidence studies vapour pressure value of phenetole is estimated to be 1.5 to 2.01 mm Hg at 25°C .

Partition coefficient

The experimental value of octanol water partition co-efficient (log Pow) of Phenetole is 2.041 at 23°C and pH of 6.51.This value indicates that Phenetole is relatively hydrophobic in nature.

 

Water solubility

Water solubility of Phenetole is found to be 8000 mg/L at 23°C by Shake flask method. This value indicates that Phenetolel is soluble in water. The supporting studies indicates values different from the key study which could be due to the difference in the estimation conditions. However for the purpose of the dossier and chemical safety assessment, the key study value shall be used.

 

Solubility in organic solvents / fat solubility

Gravimetric method was used to determine the solubility of the substance in organic solvent. The experimental value of solubility of phenetole in methanol at 23 degC was found to be 200000 mg/L indicating that the substance is very soluble in methanol.Using the Soxhlet/Solvent extraction method the solubility of the substance in Petroleum ether is observed to be 350000 mg/L at 23 °C. The solubility value of phenetole in petroleum ether at 20 degC is equivalent to a value of 304347.8260 mg/L.

 

Surface tension

No.of studies reviewed for Surface tension endpoints from reliable sources having Klimish rating 4.

The summary of the results are presented below

 

Sr.No	Endpoint	Values	Units
1.	Surface tension	32.74	mN/m
2.	Surface tension	31.64	mN/m
3.	Surface tension	38.77	mN/m

 

Based on the various weight of evidence studies the surface tension of the test substance phenetole varies between 31.64 to 38.77 mN/m.

 

Flash point

No.of studies reviewed for Flash point endpoints from reliable sources having Klimish rating 2 and 4

The summary of the results are presented below

 

Sr.No	Endpoint	Values	Units
1.	Flash point	62.8	degC
2.	Flash point	63	degC
3.	Flash point	55.0±8.0	degC

 

Based on the various weight of evidence studies the flash point of the test substance phenetole varies between 55.0±8.0 to 63 degC.Therefore it can be concluded that the substance is classified as flammable liquid.

 

Auto flammability

Phenetole did not catch fire on being exposed to air at room temperature of 23 degC and atmospheric pressure of 955hPa. This indicates that phenetole is not auto-flammable.

 

Flammability

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

 

Explosiveness

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

 

Oxidising properties

Phenetole was found to have oxidising property since 92.9 ml of KMnO4 was required for getting the end point of the redox titration for 100 ml of Phenetole.

 

Stability in organic solvents and identity of relevant degradation products

Phenetole 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 Phenetole was found to exhibit a pH of 4.71 at 23 degC. Thus 1% by volume solution of phenetole is relatively acidic in nature.

 

Dissociation constant

The average experimental pKa value for Phenetole is found to be 0.00000000458 at 23 °C indicating that it has very low dissociating properties. This value at 20°C is equivalent to 0.0000000039826.

 

Viscosity

The viscosity of phenetole was found to be 11.225 mPa s (dynamic) at 23 degC. The viscosity value when converted at 20 degC is equivalent to 9.760 mPa s (dynamic).