Registration Dossier

Physical & Chemical properties

Melting point / freezing point

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Description of key information

The test was conducted in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A1.
The freezing temperature was determined to be between -16.7 and -12.8 °C.

Key value for chemical safety assessment

Additional information

The key study for this endpoint is considered to have a reliability rating of 1, however the study is being used as read across to a structurally similar substance (Phenol, tetrapropenyl-, sulfurized, carbonates, calcium salts, overbased; CAS No. 122384-87-6/68784-26-9) as there was no available data to fulfil this endpoint for the test material and so the reliability rating will be reduced to 2, according to the criteria of Klimisch, 1997.

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.

The substance is one of a series of chemically similar materials each of which is composed of the same highly refined, lubricant base oil and different although closely related series of alkylated phenol species. Although the alkylated phenol series present in the different substances are considered different enough to warrant separate registrations, they are none the less all extremely closely related and the EPIWIN program predicts very similar properties for a number of representative structures. This high degree of similarity, in conjunction with the presence of the same base oil, which is itself understood to have a strong influence on the overall physicochemical properties of the substances is considered sufficient grounds to allow the use of read across between the different members of these “phenate” substances for the studies conducted to examine their physicochemical properties.

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 melting point to be 334°C for the mono-sulfur derivative of the test material.