Registration Dossier

Administrative data

Endpoint:
adsorption / desorption, other
Remarks:
QSAR calculation of the log Koc
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Relatively simple structure consisting of only carbon, oxygen and hydrogen fitting well in the applicability domain of the neutral organics class in the QSAR model used.

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2012
Report Date:
2019

Materials and methods

GLP compliance:
no
Type of method:
other: QSAR
Media:
other: QSAR

Test material

Reference
Name:
Unnamed
Test material form:
liquid
Details on test material:
Identification: C12 – 16 alkyletherdiol
Appearance: Opaque white to light yellow liquid (determined by Charles River Den Bosch)
CAS: Not available
Lot/Batch: D7801-171116001
Date of Production: 17.11.2017
Best before Date: Within 2 years
UVCB 100%

Results and discussion

Adsorption coefficientopen allclose all
Sample No.:
#1
Type:
Koc
Value:
200.1 L/kg
pH:
7
Temp.:
25 °C
Matrix:
QSAR estimate from MCI using fragment corrections for aliphatic alchohol and ethers
% Org. carbon:
2
Remarks on result:
other: calculated for the C14 constituent
Key result
Sample No.:
#2
Type:
Koc
Value:
473.8 L/kg
pH:
7
Temp.:
25 °C
Matrix:
QSAR estimate from log Kow using fragment corrections for aliphatic alcohol and ether
% Org. carbon:
2
Remarks on result:
other: calculated for the C14 constituent

Results: HPLC method

Details on results (HPLC method):
Not applied

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
Considering the tonnage range, calculation of the Koc of C12 -16 alkyl, glycerol ether as a first estimate is considered justified.
Executive summary:

Considering the tonnage range the Koc of C12 -16 alkyl, glycerol ether was calculated using KOCWIN v2.00. As a realistic worst-case the Koc was calculated for the C14 constituent.

The Koc estimate from MCI is 200.1 L/kg

The Koc estimate from log Kow is 473.8 L/kg