α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol

Endpoint summary

Additional information

Appearance/physical state/colour

On the basis of physical observation and using the sense of smell α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s Ketone was found to be an amorphous organic solid, with deep blue colour and characteristic odour.

Melting point/freezing point

The melting point of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s ketone by the

capillary method was found to be 208oC at an atmospheric pressure of 977.8 hPa. There was no decomposition & sublimation observed of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol at this melting point. The supporting study reports a lower melting point but for the purpose of chemical safety assessment, the value of the key study shall be used.

Boiling point

The boiling point of Solvent Blue 4 (CAS No. 6786-83-0) containing less than 0.1% Michler’s Ketone

was experimentally found to be >240°C at 982.6 hPa. The supporting study which is an estimated result shows a very high value but for the purpose of chemical safety assessment, the value of the key study i.e. boiling point of 241oC shall be used.

Density

The experimental value of density of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4)containing less than 0.1% Michler’s Ketone

by the mass by volume method was found to be 0.877 g/cm3 at room temperature of 23 °C .

Particle size distribution (Granulometry)

The particle size distribution (granulometry) of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s Ketone by the sieve analysis method was found to be in the range of 53 micrometer to 180 micrometer. Majority of the particles were found to be in the size 75 (37.0%) and 150 (28.4%) micrometer in size.

Vapour pressure

Vapour pressure of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s Ketone by Modified Grain method was estimated to be 0.00000000000000267Pa at 25 deg C.

The value used for the chemical safety assessment is 0.000000001 Pa (due to the input limitations) which indicates that the chemical has very low vapour pressure.

Partition coefficient*

The experimental value of octanol- water partition co-efficient (log Pow) of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol containing less than 0.1% Michler’s Ketone by Shake flask method was found to be 0.8055 at temperature 23 deg C and pH of 5.7.This value indicates that α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol is poorly hydrophilic in nature.

 

Water solubility

The water solubility determination of test substance α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (containing less than 0.1% Michler’s Ketone) was done as per the spectrophotometric method. The solubility was found to be 0.05 mg/L at 25 0C. Thus, the test substance is considered to be insoluble in water.

Solubility in organic solvents / fat solubility

The solubility of the test substance Solvent Blue 4 containing less than 0.1% Michler’s Ketone

in DMF it was found to be in the range of 200-1000 g/L, while in toluene and methanol it was found to be in the range of 50-100g/L at 26.2oC.

Surface tension

Surface tension of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s Ketone by using the ACD/Labs’ ACD/PhysChem Suite was estimated to be 54.126998901 mN/m at 25 deg C.

Flash point

The flash point determination of test substance (CAS No. 6786 -83 -0) was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus.The flash point ofSolvent Blue 4(CAS No.6786-83-0) containing less than 0.1% Michler’s Ketone

is experimentally determined to be greater than 285°C at 980.2hPa. The supporting study shows low value of flash point. For the purpose of chemical safety assessment, the flash point value of the key study has been considered.

Auto flammability

α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s Ketone 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 α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol is not auto-flammable.

Flammability

From the experimental values of flammability, α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4)  containing less than 0.1% Michler’s Ketone ignited when the flame of bunsen burner having temperature of 950 deg C was brought in contact with it. Thus it can be concluded that α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol is flammable only at high temperature of about 950 deg C. However since such high temperatures are not found under normal circumstances of transportation and use, α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol was considered non-flammable for chemical safety assessment.

Explosiveness

According to theoretical considerations based on chemical structure, α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol containing less than 0.1% Michler’s Ketone does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol. Thus, as per column 2 of Annex VII this end point was considered for waiver and the chemical considered to be non-explosive.

Oxidising properties

α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) (containing less than 0.1% Michler’s Ketone) was not found to be oxidising since 615 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol.

Stability in organic solvents and identity of relevant degradation products

α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s Ketone 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

pH of 1% w/v aqueous solution of the test substance Solvent Blue 4(CAS No. 6786 -83 -0) containing less than 0.1% Michler’s Ketone

was exprimentally determined to be 7.5 at 25°C indicating that 1% volume solution is slightly basic in nature.

Dissociation constant

The experimental pKa value for α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing < 0.1% Michler's Ketone was found to be 0.0000000000000000000499666667 (average pKa value) at 23 degC. The value for chemical safety assessment has been considered to be 0.000000001 pKa due to the IUCLID input field limitations.

Viscosity

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (Solvent Blue 4) containing less than 0.1% Michler’s Ketone is a solid substance and hence this testing was considered scientifically unjustified for α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol.