4-(4-isopropoxyphenylsulfonyl)phenol

Endpoint summary

Additional information

Appearance/physical state/colour

D-8 is a solid white and odourless substance.

Melting point/freezing point

The melting point of D-8, 4-[[4 -(1-methylethoxy)phenyl]-sulfonyl]phenol, was determined by the method of OECD Guideline 102: Melting point/Melting range (1981). The melting point of D-8 was determined to be 402.4 K (129.3 °C) using a photocell detection method in accordance with the guideline.

Boiling point

D-8 was investigated for boiling temperature according to EU method A.2. As the boiling point could not be measured at atmospheric pressure because the test item decomposed, it was measured under reduced pressure using a standard laboratory procedure not specified in the Official Journal. The boiling point of D-8 has been determined to be 363 K with decomposition, at a pressure of 2.128 kPa.

Density

D-8 was tested for relative density by the pycnometer method according to EU Test guideline A 3. The relative density of D-8 was found as 1.2914 g /cm³ at 21.0 ± 0.5 °C.

Particle size distribution (Granulometry)

The particle distribution of D-8 was measured using the Laser Diffraction technique. The substance is dispersed in a suitable medium and the diffraction of a laser beam is measured. For D-8, in the tested sample, the mean particle size was found to be 5.12 µm.

Vapour pressure

The vapour pressure of D-8 was measured by a gas saturation method as described in the OECD Guideline 104. The vapour pressure of D-8 was less than 1E-5 Pa at 27 °C.

Partition coefficient

The n-octanol/water partition coefficient of D-8 was determined by the flask shake method according to OECD Guideline 107. The log Pow for D-8 was found as 3.36 ± 0.067 at 25 °C.

Water solubility

The solubility of D-8 in distilled water was determined according to the method CIPAC MT 10. The solubility of D-8 in distilled water was 19.7E-3 g/L at a pH of 6.85 and 25 °C.

Solubility in organic solvents / fat solubility

The solubility of D-8 in Standard Fat was determined in accordance with OECD Guideline 116. The solubility of D-8 was found to be 0.891 g/kg of Standard Fat at 37 °C.

Surface tension

D-8 was tested for surface tension of aqueous solutions of the test material according to EU Method A.5. The surface tension of a solution of 0.0293 g of test material was detected to 68.6 mN/m at 21.5 ± 0.5 °C. The test material is not considered to be a surface-active material.

Flash point

A flash point is defined only for liquid substances. In Regulation 1272/2008/EC, liquids are defined as follows: Liquid means a substance or mixture which: (i) at 50 °C has a vapour pressure of not more than 300 kPa (3 bar); (ii) is not completely gaseous at 20 °C and at a standard pressure of 101,3 kPa; and (iii) which has a melting point or initial melting point of 20 °C or less at a standard pressure of 101,3 kPa;

D-8 is a solid with a melting point of 129 °C. Therefore, the measurement of a flash point is not necessary.

Auto Flammability

The relative self-ignition temperature for D-8 has been determined according to the EU Guideline A.16. The test substance was suspended in a wire mesh cube in an oven at room temperature. The temperature/time curve relating to the condition, in the centre of the sample and in the oven were recorded while the temperature of the oven was increased to approximately 390 °C at a rate of 0.5 °C/min. The relative self-ignition temperature of D-8 has been found to be greater than the melting temperature of 129 °C.

Flammability

D-8 was tested for the flammability of solids according to the EU Test guideline A.10. Powdery, granular or paste-like substances are to be considered as highly flammable when the time of burning in any tests carried out according to the test procedure as described is less than 45 sec. D-8 was not shown to be highly flammable as it did not propagate combustion. D-8 was not classified and labelled highly flammability, according to Regulation (EC) No 1272/2008 (CLP).

Explosiveness

D-8 was tested for explosive properties according to EU Test guideline A.14 in the three following tests:

1) Shock of a falling load (BAM Fallhammer Test);

2) Friction (BAM Friction Test);

3) Heating under confinement (KOENEN Test).

Each test was performed six times. In none of the three performed tests, D-8 showed any sign of explosive properties.

Oxidising properties

D-8 was tested for oxidising properties in a test according to EU Gudeline A.17. D-8 has been determined to be an oxidiser since the maximum burning rate of the test substance mixtures with cellulose was greater than that of the reference substance mixtures with cellulose. The test substance is a solid with a comparatively low melting point however, so this result could have been a false positive. D-8 did not support combustion when mixed with an inert material, celite. Consequently, the result obtained in the standard oxidising properties test A.17 is considered to be valid, and the substance is confirmed to be an oxidiser.

Stability in organic solvents and identity of relevant degradation products

The test of stability in organic solvents and identification of reaction products is only necessary, if stability of a substance is considered a critical property. This does not apply to D-8. Therefore, testing of the stability of D-8 in organic solvents was not considered relevant.

Dissociation constant

The determination of the dissociation constant of D-8 is technically not feasible. REACh Regulation Annex IX, Sect. 7.16, Col. 2, states as follows: “7.16: Dissociation constant.: The study does not need to be conducted if: - the substance is hydrolytically unstable (half-life less than 12 hours) or is readily oxidisable in water, or - it is scientifically not possible to perform the test for instance if the analytical method is not sensitive enough.”

For the determination of the dissociation constant of a substance, it is necessary to determine the hydrolysis of the substance at all. In a hydrolysis test D-8 was found to be a substance highly stable to hydrolysis at pH-values of 4, 7 and 9. Therefore, the hydrolysis of D-8 in water was not determinable in a suitable manner. Consequently, the determination of the dissociation constant of D-8 is not practicable.

Calculation of the Dissociation constants with the SPARC v 4.5 online calculating programme for estimation of chemical parameters showed the following results: pKa: 8.24

Viscosity

The determination of the viscosity is scientifically unjustified. Viscosity is an intrinsic property of a fluid and a dimension for the viscidity of a fluid medium. D-8 is a powdery solid with a melting point of 129 °C. Therefore, no properties which can be applied for a fluid are present in D-8 at ambient conditions. As a result, the determination of the viscosity is scientifically unjustified.