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EC number: 248-654-8
CAS number: 27776-01-8
Available information:Measured log Koc:1,1-DPE: 3.64Calculation 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: 4.167Phenyl-tolyl-ethane: 4.51SAS-296: 4.60SAS-305: 4.87
Koc values for members of the diphenylmethane category were calculated
by a reliable QSAR model.
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,
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
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.
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