Registration Dossier
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EC number: 248-654-8 | CAS number: 27776-01-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Available information:
Measured log Koc:
1,1-DPE: 3.64
Calculation of log Koc:
For calculation of the soil adsorption coefficient (koc) of members of the diphenylmethane category the EPI (Estimation Programs Interface) Suite™, a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by the EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC), was used.
Results log Koc:
1,1-DPE: 4.185 (calculated), 3,64 (measured)
Benzyltoluene: 4.167
Phenyl-tolyl-ethane: 4.51
SAS-296: 4.60
SAS-305: 4.87
Key value for chemical safety assessment
- Koc at 20 °C:
- 14 689
Additional information
Log Koc values for members of the diphenylmethane category were calculated by a reliable QSAR model.
The adsorption coeffcient log Koc of Benzyltoluene was determined by a non-experimental calculation method.Benzyltoluene is a slightly water soluble, non-polar organic substance.
As a very hydrophobic substance, supported by its measured Kow of 4.87 - 4.94,
it is expected that Benzyltoluene would strongly adsorb to organic matter in soil to an appreciable extent.This is confirmed by the calculated KOC values of 4.167 (MCI method) and 3.9572 (log Kow method). Calculated values for adsorption coefficient log Koc of the other members of the diphenylmethane category range from 4.2 to 4.9 the fact of which again clearly indicates the very close similarity of all of its members.
For 1,1 -DPE the measured log Koc is 3.64.
According to the EPI SUITE User's Guide, the MCI methodology is somewhat more accurate than the Log Kow methodology, although both methods yield good results.
No further testing is required.
For detailed read across rationale and justification see section 13, Read across document.
[LogKoc: 4.167]
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