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EC number: 613-868-6
CAS number: 65997-12-8
Calculated log Koc values for rosin esters range from 2.86 to 3.94 for mono-esters, 6.79 to 8.8 for di-esters, 11.94 to 13.93 for tri-esters and 17.20 to 18.98 for tetra-esters.
A measured Koc value of >4.46 is available
for resin acids and rosin acids, esters with diethylene glycol
(Safepharm Laboratories, 1997a). The Koc was measured using the HPLC
method and is considered reliable.
Log Koc values
were estimated for representative structures of mono, di, tri and tetra
ester substances using the US EPA's EPISuite model KOCWIN. In this
model, two separate estimation
methodologies are used: (1) estimation using first-order Molecular
Connectivity Index (MCI) and (2) estimation using log Kow (octanol-water
partition coefficient). The applicability domain of the KOCWIN model is
based on MW of 447 training set compounds (minimum MW: 32.04, maximum
MW: 665.02, average MW: 224.4). Predictions obtained by the two methods
are in good agreement for all the components; the average value obtained
from the two programs is reported. Calculated
log Koc values for rosin esters range from 2.86 to 3.94 for mono-esters,
6.79 to 8.8 for di-esters, 11.94 to 13.93 for tri-esters and 17.20 to
18.98 for tetra-esters.
Although some of these constituents are
outside the domain of the QSAR model, the QSAR approach is considered to
be appropriate as a screening assessment.
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.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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