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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26.07.17
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

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

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1,1'-azobis(1-cyclohexanecarbonitrile)
EC Number:
218-254-8
EC Name:
1,1'-azobis(1-cyclohexanecarbonitrile)
Cas Number:
2094-98-6
Molecular formula:
C14H20N4
IUPAC Name:
1,1'-azobis(1-cyclohexanecarbonitrile)
Test material form:
solid: granular

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
3.256
Temp.:
25 °C
pH:
> 5 - < 6

Applicant's summary and conclusion

Executive summary:

The study was performed using a HPLC with a C18 column. Seven reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POWare correlated. The reference items were chosen based on the results of the pre-test.


One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol/water 65/35 (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.


For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.

A calibration function (log k versus log POW, linear fit) was determined using the literature values for POWof the reference items and the retention times in the six determinations.

 

The chromatogram of the test item gave one peak. With the calibration function log k versus log POW, the corresponding log POWof the peak was calculated with:
3.256 ± 0.001(mean ± standard deviation).

 

Therefore, the log POWof the test item is stated as 3.3(mean).