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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

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2021
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2021
Report date:
2021

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
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:
(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
EC Number:
610-461-5
Cas Number:
495-61-4
Molecular formula:
C15H24
IUPAC Name:
(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
Test material form:
liquid

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
23 °C
pH:
6.2
Remarks on result:
other: pH value of the water used for the preparation of the eluent

Any other information on results incl. tables

HPLC with UV/Vis detection:





























Substance



tR (min)



log Pow



DDT



5.520



6.5



Test item Peak 1



11.633



 


> 6.5



Test item Peak 2



13.903



Test item Peak 3



14.977



Remark: The results were calculated with not rounded values.


 


Solubility in n-Octanol:


Additionally, the solubility of the test item in n-octanol was visually tested. The test item shows complete miscibility with n-octanol at T = 23 °C and T = 20.0 °C ± 0.5 °C.

Applicant's summary and conclusion

Conclusions:
The partition coefficient of test substance was determined to be log Pow= >6.5 at 23°C.