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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was not conducted according to glp.

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)
Deviations:
not specified
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Acetic acid, C11-14-isoalkyl esters, C13-rich
EC Number:
283-740-9
EC Name:
Acetic acid, C11-14-isoalkyl esters, C13-rich
Cas Number:
84712-50-5
Molecular formula:
C15H30O2
IUPAC Name:
Acetic acid, C11-14-isoalkyl esters, C13-rich
Specific details on test material used for the study:
The test material lot number is 15110122. The material was stored under ambient conditions. The test material was 99%+ pure, with no identified impurities. No evidence of chemical instability of the substance was observed under the test conditions.

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 6.27
Temp.:
40 °C
pH:
ca. 5.9

Any other information on results incl. tables

Results and discussion














































Initial value for log Pow



5.93



Final value for log Pow



6.27



Pow values and their mean



8.47E+5-1.84+6



Standard deviations of individual Pow values



0



Theoretical value when it has been calculated



N/A



Temperature of the test solutions



40°C



pH value(s) of the aqueous solution(s)



5.9



composition and concentration of buffers



None Used



Concentration of the stock solution



2880 mg/L



If testing is waived, the reason for waiving must be documented in the dossier



N/A



 


Initial:






















































IsoTridecyl Acetate



 



 



 



 


 

Run Number



Concentration (mg/L)



Retention Time (Initial)



Capacity Factor (k)



Exxate 1300 log10 k



Exxate1300 log10 Pow



1



2880



27.857



15.832



1.200



5.93



2



2880



27.901



15.859



1.200



5.93


  

 



Exxate 1300 log10 Pow Average =



 



5.93


   

Exxate 1300 Pow Average =



 



8.47E+05



 


Final:






















































IsoTridecyl Acetate



 



 



 



 


 

Run Number



Concentration (mg/L)



Retention Time (Final)



Capacity Factor (k)



Exxate 1300 log10 k



Exxate 1300 log10 Pow



1



2880



35.869



20.673



1.315



6.28



2



2880



35.369



20.371



1.309



6.26


  

 



Exxate 1300 log10 Pow Average =



 



6.27


   

Exxate 1300 Pow Average =



 



1.84E+06


Applicant's summary and conclusion

Conclusions:
The average log Pow for this substance is 6.27