Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Physico-chemical endpoints are completed based on test data following standard guidelines, QSAR modelling and data waivers. All data are therefore considered to be reliable and relevant for the endpoint concerned.

 

Appearance / Physical state / Colour

The test item is a light brown solid at room temperature as reported in the test item section (Cage 2018) of a GLP-compliant experimental study.

 

Melting point/freezing point

The melting temperature of the test item was determined to be greater than 250 °C (van der Toorn 2016). The study was conducted according to ASTM E324-99 guideline.

Boiling point

This endpoint was waived as in accordance with column 2 of REACH Annex VII, the boiling point study does not need to be conducted as this substance decomposes before boiling.

 

Density

The relative density was determined to be 1.06 at 20°C (Dunning 2018). The study was conducted according to OECD 109 guideline and E.U. Method A.3.

 

Particle Size Distribution

This endpoint was waived as in accordance with column 2 of REACH Annex VII, the granulometry study does not need to be conducted as the substance is marketed or used in a non-solid or granular form.

 

Vapour Pressure

The vapour pressure of the test item was determined by QSAR modelling to be in the range 4.62 x 10-27 to 5.47 x 10 -14 Pa. Standard test methods, according to OECD guideline 104, are able to measure vapour pressure from 10 x 10-10 Pa to 10 x 105 Pa. Predicted vapour pressure for the substance is below 10 x 10-10 Pa, therefore QSAR modelling has been performed for this endpoint.

 

Partition coefficient

The partition coefficient (Log Kow) of the test item was determined using the SPARC (v6.0), ALOGPS and KOWWIN (v1.68) QSAR models to be in the range of 6.91 – 13.18 at 25 °C, based on representative structures of the substance. QSAR modelling was used to fulfil this endpoint due to the low water solubility of the test item.

 

Water Solubility

The water solubility of the test item was determined using the SPARC (v6.0), ALOGPS, WSKOWWIN (v1.42) and WATERNT (v1.01) QSAR models and the average of the geometric mean water solubilities of the constituents was 3.91 x10-06mg/L. Due to the low water solubilities of these substances, below the limit of detection (LoD) or Limit of Quantification (LoQ) for standard methods the water solubility was predicted by QSAR modelling.

 

Surface Tension

This endpoint was waived as in accordance with column 2 of REACH Annex VII, the surface tension study does not need to be conducted as this substance has a water solubility below 1 mg/L at 20°C. Also, based on the structure of the substance, surface activity is not expected or predicted and surface tension is not a desired property of the material.

 

Flashpoint

This endpoint was waived as in accordance with ECHA Guidance on information requirements and chemical safety assessment, Chapter R7a: endpoint specific guidance, the flash point study does not need to be conducted as this substance is a solid at room temperature.

 

Auto flammability

The test item was found to self-ignite at 395 °C (Cage 2018). The study was conducted according E.U. Method A.16.

 

Flammability

The test item was found to be not highly flammable (Dunning 2018). The study was conducted according to E.U. Method A.10.

 

Explosiveness

This endpoint was waived as in accordance with column 2 of REACH Annex VII, the explosive properties studies do not need to be conducted as there are no chemical groups associated with explosive properties present in the substance

 

Oxidising Properties

This endpoint was waived as in accordance with column 2 of REACH Annex VII, the oxidising properties study does not need to be conducted as the substance is incapable of reacting exothermically with combustible materials on the basis of the chemical structure.

Stability in organic solvents and identity of relevant degradation products

This endpoint was waived as in accordance with Column 2 of REACH Annex IX, the stability in organic solvents does not need to be conducted as the stability of the substance is not considered to be critical.

Dissociation constant

This endpoint was waived as in accordance with Column 2 of REACH Annex IX, the dissociation constant study does not need to be conducted as it is not scientifically possible to perform the test because the analytical method is not sensitive enough.

Viscosity

This endpoint was waived as in accordance with Column 2 of REACH Annex IX, the viscosity study does not need to be conducted as it is not scientifically possible to perform the test because the substance is a solid.

Additional information