Registration Dossier
Registration Dossier
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EC number: 204-594-4 | CAS number: 123-04-6
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Significant adsorption to the solid soil phase is expected.
Key value for chemical safety assessment
Additional information
The adsorption potential of 3-(chloromethyl)heptane (CAS 123 -04 -6) was calculated using EPI Suite v.4.10. The estimates for the uncharged molecule using the MCI and the Kow method of the KOCWIN v2.00 module from SRC EPI Suite v4.10 are listed below
Uncharged molecule:
- MCI method: Koc = 733.5; log Koc = 2.8
- Kow method: Koc = 72400; log Koc = 4.8
Moreover, a QSAR calculation by ACD Labs (2013) determined the log Koc to be 3.8 from pH 4 to 9.
Based on these results, a weight-of-evidence approach was used for the determination of the log Koc. The arithmetic mean value for the log Koc is 3.8 (PNEC derivation by partition coefficient). However, based on the result of the weight-of-evidence approach using the arithmetic mean of three QSAR methods (log Koc = 3.8, Koc = 6310), adsorption to solid soil phase is expected.
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