Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance/physical state/colour

The test item was observed to be a brown waxy solid during performance of GLP guideline studies.

Melting point/freezing point

The pour point of the test item has been determined to be 39±3°C (312 ± 3K)

Boiling point

The boiling temperature of the test item has been determined to be from approximately 110 °C (383 K) at 99 to 101 kPa (OECD 103 and EU Method A.2).

Density

The density of the test item has been determined to be 909 kg/m3 at 20.0 ± 0.5 °C and a relative density of 0.909

Particle size distribution (Granulometry)

Granulometry has not been investigated because the test item has been demonstrated to have a pour point of 39 ± 3 °C. This means that particle size influencing toxicological profile is unlikely to be relevant to a waxy solid at ambient temperature.

Vapour pressure

Vapour pressure of the test item was determined to be 0.555 Pa at 25°C (298 K) 2.68 Pa at 40°C (313 K) 3.47 Pa at 60°C (333 K) (OECD 104 & EU Method A.4)

Partition coefficient

The partition coefficient of the test item was determined to be greater than 1.0 x 10E10 with a Log Pow of > 10.0 (OECD 117 and EU Method A.8).

Water solubility

Water solubility of the test item was found to be loading rate dependent (3.97 x 10E-03 g/L TOC for a loading rate of 0.1 g/L and 2.53 x 10E-02 g/L TOC for a loading rate 1 g/L). It was estimated from the results that the majority of the components would be insoluble in water (OECD 105 and EU Method A.6).

Surface tension

Surface tension was determined to be 66.5 ± 2.0 mN/m for the 0.11 g/L loading rate and 56.2 ± 1.0 mN/m for the 1.1 g/L loading rate at 22.0 ± 0.5°C. The test item was considered to be surface active but this was dependent on loading rate (OECD 115 and EU Method A.5).

Flash point

The flash point of the test item has been determined to be 109 ± 2 °C

Auto flammability

The test item has been determined to have an auto-ignition temperature of 362 ± 5 °C

 

 

Flammability

Flash point of the test substance has been determined to be 109 ± 2 °C.

It is considered unnecessary to investigate flammability because the test item is approaching the border between solid and liquid states at ambient temperature (experimentally determined pour point of 39 ± 3 °C).

Explosiveness

The chemical structure of the test item was assessed and the resulting expert statement concludes that the test item does not have explosive properties (EU Method A.14).

Oxidising properties

The chemical structure of the test item was assessed and the resulting expert statement concludes that the test item does not have oxidising properties (EU Method A.21).

Stability in organic solvents and identity of relevant degradation products

The post-storage test substance concentrations of formulations prepared at target test item concentrations of 20.0 and 220 mg/mL ranged from 94.3 % to 117 % of the pre-storage values.

Dissociation constant.

Annex IX for REACH requires that a dissociation constant be measured for the sample dissolved in water. OECD – 112 is the method listed for this endpoint; it can be performed three ways: titration method / spectrophotometric method / conductometric method. There are some general caveats listed in OECD-112, however what constitutes “low solubility” is not defined.

1.The titration method is not suitable for low solubility compounds

2.The spectrophotometric method suitability is as follows:

a.not applicable to compounds having appreciably different UV.VIS-absorption spectra for the dissociated and undissociated forms.

b.may be suitable for low solubility compounds c.may be suitable for non-acid/base dissociations (eg complex formation)

3.In cases where the Onsager equation holds, the conductometric method may be used

a.even at moderately low concentrations

b.even in cases for non-acid/base equilibria

This substance is a complex mixture of esters and amides. None of the main constituents dissociate when dissolved in water so no dissociation constant can be measured (scientifically unjustified). A minor amount of unreacted test substance is present in the product. The constituents present in this acid are reported to have a pKa of between 4.59 to 4.80.

Viscosity

Viscosity result was determined to be 5.197 cSt at 100 °C (ASTM D445-10 ).

 

Additional information