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Adsorption / desorption

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Description of key information

The log Koc value was predicted with the program KOCWIN and with three QSPR methods. The log Koc = 3.26 indicates that the substance has low mobility in soil and sediment according to the classification scheme of McCall et al. (1981).

Key value for chemical safety assessment

Koc at 20 °C:
1 819.7

Additional information

Discussion of results

As no single computational model could be identified which would fit completely to this task, the Koc of allyl 3-cyclohexylpropionate eventually was being calculated from the geometric mean of the data generated by five individual QSPR approaches.The five different ways of QSPR computations mostly were based on the experimentally derived log Kow of the test item of 4.276.

Method

Log KOC

PCKOCWIN MCI

2.86

PCKOCWIN log KOW

3.22

Gerstl method

3.566

Sabljic and Güsten (esters)

3.145

Sabljic and Güsten (mainly hydrophobic)

3.563

Geometric mean

3.26

The resulting geometric mean of log Koc = 3.26 (Koc = 1820 L/kg) is considered as valid as it is being supported by several different QSPR approaches. It is proposed to use the predicted value for the adsorption coefficient of log Koc = 3.26 in the chemical safety assessment.

The substance is considered to have "low mobility" in sediments and soil (McCall 1981).

Waiving of further adsorption/desorption studies

As the substance is readily biodegradable fulfilling the 10-day window, further testing of adsorption/desorption of the substance is not necessary according to Regulation (EC) No 1907/2006, Annex VIII, column 2.

[LogKoc: 3.26]