Registration Dossier
Registration Dossier
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EC number: 233-117-2 | CAS number: 10039-33-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Koc: 4.065E+007 l/kg; LogKoc: 7.6090
Key value for chemical safety assessment
- Koc at 20 °C:
- 40 650 000
Additional information
The adsorption coefficient of the substance was calculated in KOCWIN v.2.00 (EpiSuite) by using two methods: MCI and LogKow method.
Koc: 1.386+007 l/kg; LogKoc: 7.1418 (MCI method)
Koc: 4.065E+007 l/kg; LogKoc: 7.6090 (Kow method)
The model has no universally accepted definition of model domain, but since the component is outside the Kow and molecular weight range of the training set (limits of training set: log Kow = -2.11 to 9.10; log Kow of test substance: 13.15), these results should be taken with caution. For this reason calculated values of a structural analogue substance were also taken into consideration. Similar Substance 02 has Kow and molecular weight values which fit in the training set range. As expected, due to the shorter carbon chain, the analogue substance has a lower adsorption coefficient from the one of the substance: Koc: 1.216+004 l/kg; LogKoc: 4.0851(Kow method), Koc: 2.717E+004 l/kg; LogKoc: 4.4340 (MCI method). In any case, based on the adsorption coefficients both substances are expected to adsorb to soil.
However, in accordance with Section 2 of Annex XI of Regulation (EC) No. 1907/2006 (REACH), it is considered justified to omit the study required under point 9.3.1 of Annex VIII on the basis that testing is not technically possible. The substance is poorly soluble in water and appropriate organic solvents. Furthermore, the analytical methods for this substance have limited sensitivity and would not produce a meaningful result. This is demonstrated by the difficulties experienced in the study submitted as supporting information for the data requirement 9.2.2.1 Hydrolysis as a function of pH, where attempts to determine the behaviour of Similar Substance 01 under hydrolysis using electrospray ionisation mass spectrometry (ESI/MS) did not produce any results due to the difficult nature of the substance. However, the Koc values estimated for the substance are taken into consideration for the chemical safety assessment.
[LogKoc: 7.609]
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