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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
04.06.2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Version / remarks:
2008
Qualifier:
according to guideline
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
GLP compliance:
yes (incl. QA statement)
Type of method:
other:
Remarks:
No experimental work was performed.
Media:
sewage sludge

Test material

Constituent 1
Chemical structure
Reference substance name:
4-trans-Butyl-4'-trans-propyl-[1,1'-bicyclohexyl]
EC Number:
619-232-4
Cas Number:
96624-52-1
Molecular formula:
C36H36
IUPAC Name:
4-trans-Butyl-4'-trans-propyl-[1,1'-bicyclohexyl]
Test material form:
other: solid

Study design

HPLC method

Details on study design: HPLC method:
The present study aimed at the determination of the log Koc of the test item using the HPLC-UV VIS Method. As the test item has no chromophore, no chromatographic signal could be assigned to the test item. The capacity factor and the log Koc of the test item could not be determined experimentally. Using LC-MS technique was not successful either, as it was not possible to ionize the 4-trans-Butyl-4'-trans-propyl-[1, 1 '-bicyclohexyl] molecule.

Batch equilibrium or other method

Computational methods:
For the aforementioned reasons no appropriate detection system is available to perform the HPLCmethod. Thus the adsorption coefficient was evaluated with EPI Suitea. The calculated values are:
logK0c = 5.5 (MCI method)
logK0c = 7.9 (Kow method)

Results and discussion

Adsorption coefficientopen allclose all
Key result
Type:
log Koc
Value:
5.5 dimensionless
Remarks on result:
other: Kow method
Remarks:
The adsorption coefficient was evaluated with EPI Suite
Key result
Type:
log Koc
Value:
7.9 dimensionless
Remarks on result:
other: MCI method
Remarks:
The adsorption coefficient was evaluated with EPI Suite

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
The adsorption coefficient was evaluated with EPI Suite 1
The calculated values are:
logK0 c = 5.5 (MCI method)
logK0c = 7.9 (Kow method)