Registration Dossier
Registration Dossier
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EC number: 273-309-3 | CAS number: 68956-56-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The substance exhibits a Koc of 2547 L/kg (geometric mean of three QSAR results). Calculations were made for the main constituent with the highest log Kow i.e. alpha pinene.
Key value for chemical safety assessment
- Koc at 20 °C:
- 2 547
Additional information
The substance is a UVCB composed of several main constituents for which log Kow values are available. For the purpose of the Koc assessment, a constituent approach was followed by selecting a key constituent which data will be used for the chemical safety assessment. Among the main constituents, alpha pinene exhibits the highest log Kow (4.46) and therefore was used as worst case to predict the Koc key value for the chemical safety assessment.
Three QSAR estimations were performed :
Estimation of Log Koc by TGD (2003) Equation for predominantly non hydrophobic: Log Koc = 3.339, Koc = 2184 L/kg
MCl Method from KOCWIN v2.00: Log Koc = 3.0087, Koc = 1020 L/kg
Log Kow Method from KOCWIN v2.00 (Input logKow = 4.46): Log Koc = 3.8704, Koc = 7421 L/kg
A key value for chemical safety assessment was calculated by the geometric mean of the values cited above:
Geometric mean of Koc = 2547 L/kg
This gives a Log Koc = 3.406
[LogKoc: 3.406]
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