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Adsorption / desorption

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Description of key information

The substance exhibits a Koc of 1175 L/kg, estimated by the use of QSAR Methods for main constituents.

Key value for chemical safety assessment

Koc at 20 °C:
1 175

Additional information

There are no experimental value for adsorption/desorption on the multi-constituent substance itself. Estimated values have been generated by QSAR Methods for the main constituents. The calculation methods are listed here below:

Estimation of Log Koc by TGD (2003), use of equation for non hydrophobic substance

Molecular Connectivity Index method from KOCWIN v2.00

The Log Kow regression based method from KOCWIN v2.00

The Koc values per constituent are reported here below (geometric mean of three estimated values):

Terpinolene, CAS No. 586-62-9, Koc = 2288 L/kg

Cineol 1,8, CAS No. 470-82-6, Koc = 260 L/kg

d-limonene, CAS No. 5989-27-5, Koc = 2492 L/kg

l-limonene, CAS No. 5989-54-8, Koc = 2492 L/kg

Cineol 1,4, CAS No. 470-67-7, Koc = 265 L/kg

A unique value is calculated as a weight-averaged mean of the constituent values and their weight contribution in multi-constituent substance:


Substance CAS No. Formula Weight contribution Koc Contribution
Terpinolene 586-62-9 C10H16 0.30 2288 686.4
Cineol-1,4 470-67-7 C10H18O 0.20 265 53
Cineol-1,8 470-82-6 C10H18O 0.14 260 36.4
(+) limonene 5989-27-5 C10H16 0.08 2492 199.36
(-) limonene 5989-54-8 C10H16 0.08 2492 199.36

This gives Koc = 1175 L/kg

[LogKoc: 3.07]