Registration Dossier
Registration Dossier
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EC number: 689-267-8 | CAS number: 501925-98-0
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
According to the KowWin QSAR v1.68, the substance has a log Kow of 0.49 reflecting insignificant lipophilicity. Based on results for two very similar reference substances it is concluded that the result with the HPLC method (OECD TG 117) is about log Kow = 2.2, which still indicates insignificant bioaccumulation potential.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.2
- at the temperature of:
- 23 °C
Additional information
In view of the complex molecular structure, the QSAR value of 0.49 calculated with the accepted method KowWin v1.68 is of limited precision. For a better fine tuning, the difference between the results obtained with KowWin v1.68 and with the OECD 117 HPLC method are presented for two substances with very similar structure: All non-hydrocarbon substituents are identical in number and structure. The only difference is the saturated hydrocarbon fragment in the centre of the molecules.
Hydrocarbon centre |
OECD 117 HPLC |
KowWin v1.68 |
Difference |
Dodecanediyl |
5.1 |
3.44 |
1.66 |
(Trimethyl)hexanediyl |
3.55 |
1.78 |
1.77 |
Hexanediyl |
|
0.49 |
|
For the reference substances, the HPLC result is about 1.7 higher than the KowWin v1.68 result. Accordingly it is estimated that the HPLC result for the target substance is log Kow approximately 0.5 + 1.7 = 2.2.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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