Registration Dossier
Registration Dossier
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EC number: 432-840-2 | CAS number: 220926-97-6
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Experimentally, a single peak with a Log Pow of 6.01 is obtained at 20°C (pH = 8), but the complex reaction product has >10 components.
Log Kow = 13.08 and 13.28 are estimated with Kowwin (v1.68) QSAR for the two first constituents listed in section 1.2 of IUCLID.
The highest Log Kow value (13.28) was used for Chemical Safety Assessment.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.01
- at the temperature of:
- 20 °C
Additional information
The octanol/water partition coefficient of a complex reaction product (E96095) was experimentally measured in accordance with OECD testing guideline 117 and GLP requirements. A single peak with a log Kow value of 6.01 was obtained (Betteley 1999), but there are >10 components with variable molecular weight inside this complex reaction product. The applicability range of OECD testing guideline 117 does not allow assessing log Kow >6.
As supportive data, QSAR (Kowwin v1.68) was runned to appraise fixed values for the two first constituents listed in section 1.2 of IUCLID.
The Log Kow values obtained with the Kowwin QSAR (v1.68) ranged from 13.08 to 13.28.
A single exact log Kow value is not possible for a complex reaction product, and is not required as no environmental CSA is required (see discussions in the CSR) and as no PNECs for soil and sedment are derived.
The overall conclusion to be retained is: log Kow >6.
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