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EC number: 938-945-4 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
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:
Input:
| 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]
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