Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption
Remarks:
other: (Q)SAR
Type of information:
(Q)SAR
Data waiving:
study technically not feasible
Justification for data waiving:
other:
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

GLP compliance:
no
Type of method:
other: Software PCKOCWIN, version 2.00, © 2009, U.S. Environmental Protection Agency.Software uses first order molecular connectivity index (MCI) and a series of statistically derived fragment contribution factors to apply this to polar substances.

Test material

Constituent 1
Reference substance name:
LiTOFA
IUPAC Name:
LiTOFA
Details on test material:
Sponsor's identification: LiTOFA
Description : off white solid
Batch number: SF 173
Expiry date : 21 January 2012
Date received: 21 January 2010
Storage conditions: room temperature in the dark

Study design

Batch equilibrium or other method

Analytical monitoring:
not required

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Remarks:
KOCWIN Estimated Value of Log10Koc
Value:
3.55
Remarks on result:
other: Fatty Acid Identity: Palmitic Acid 57-10-3
Type:
log Koc
Remarks:
KOCWIN Estimated Value of Log10Koc
Value:
4.07
Remarks on result:
other: Fatty Acid Identity: Oleic Acid 112-80-1
Type:
log Koc
Remarks:
KOCWIN Estimated Value of Log10Koc
Value:
4.07
Remarks on result:
other: Fatty Acid Identity: Linoleic Acid 60-33-3

Any other information on results incl. tables

Results

The adsorption coefficient (log10Koc) values obtained for the anticipated dominant parent fatty acids of the test item are as detailed in the following table:

Table 9.2

Fatty Acid Identity

CAS No.

KOCWIN Estimated Value of Log10Koc

Palmitic Acid

57-10-3

3.55

Oleic Acid

112-80-1

4.07

Linoleic Acid

60-33-3

4.07

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
No determination of the adsorption coefficient was possible by the HPLC estimation method, Method C19 of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001. This was since the method was invalid for the test item. Using the specialised predictive software PCKOCWIN, version 2.00, © 2009, U.S. Environmental Protection Agency, the adsorption coefficient of the parent fatty acids of the test item were estimated to be in the range Log10 Koc 3.55 to 4.07.
Executive summary:

No determination of the adsorption coefficient was possible by the HPLC estimation method, Method C19 of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001. This was since the method was invalid for the test item; it being a mixture of lithium salts and secondly, even on anticipated dissociation on accidental release in the environment, the method remains invalid for the parent acids also. Using the specialised predictive software PCKOCWIN, version 2.00, © 2009, U.S. Environmental Protection Agency, the adsorption coefficient of the parent fatty acids of the test item were estimated to be in the range Log10 Koc 3.55 to 4.07.