Registration Dossier

Physical & Chemical properties

Boiling point

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Description of key information

The test is conducted in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A2.
The boiling point was determined to be > 250°C.

Key value for chemical safety assessment

Additional information

A reliability rating of 1 was assigned to the key study, according to the criteria of Klimisch, 1997 as the study was conducted in accordance with recognised guidelines and GLP.

The substance is composed of a series of alkylated phenol species of variable composition and a highly refined, lubricant base oil necessary to act as a solvent for the synthetic reaction and to optimize the reaction kinetics used in the substance’s manufacture. Attempts to remove this base oil from the substance result in changes to the other components’ original structures and the physicochemical characteristics of the substance as a whole. With this in mind, the substance is being registered to include the base oil as a component of the substance and thus the base oil is present in the test material.

Data from the QSAR model EPIWIN (Estimations Programs Interface for Windows), are presented within this dossier as they were previously presented as a part of the SIDS Initial Assessment Report for this category of substances. However, it should be borne in mind that current versions of EPIWIN have not been validated for salts or chemicals that are of variable composition. This substance is a highly complex mixture comprising a number of molecules of varying structure with a distribution of carbon chain lengths with varying numbers of alkyl-phenol rings and sulphur bridging between those alkyl-phenol rings. As such the calculated value presented is based upon an individual representative structure of the alkylated phenol and not the UVCB substance being registered, which includes a large range of such species in addition to the highly refined, lubricant base oil in which the substance is manufactured.

Whilst the results of the EPIWIN predictions for each of the individual structures are anticipated to be highly reliable, those results are not considered to be representative of the values that would be predicted for the substance as a whole. As such the estimated values derived from the EPIWIN models have been disregarded for this submission as they are not considered to add any meaningful information to the data presented.

EPISuite - MPBPWIN version 1.41 estimates the boiling point to be 894.25°C for the mono-sulfur derivative of the test material.