Registration Dossier
Registration Dossier
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EC number: 217-315-6 | CAS number: 1809-14-9
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Estimated logKow = 6.13
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.13
Additional information
The predicted value of logKow is out of the recommended range by Shake Flask Method (OECD TG 107 applicable in range between -2 and 4) and by HPLC Method (OECD TG 117 applicable in range between 0 and 6). Dioctyl phosphonate is not easy to detect by HPLC because of lack of chromophore and it is low water soluble so the experimental test for logKow is difficult to perform.
Estimated logKow = 6.13 was carried out by algorithm GALAS as implemented in ACD/Percepta software.
Also the estimated value with less sophisticated software gives similar result: estimated log Kow by KOWWIN as implemented in EPI Suite v.4.11 for Dioctyl phosphonate is 5.74 using as input SMILES notation O=P(OCCCCCCCC)OCCCCCCCC. For this reason the calculated value of logKow by algorithm GALAS as implemented in ACD/Percepta software has been reported as key value for the Chemical Safety Assessment for Dioctyl phosphonate.
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