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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
January 19, 2004 - January 23, 2004
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was performed in accordance with the EC A.8 and OECD 117 guidelines and complied with the principles of GLP.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2004
Report date:
2004

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(1992)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(1989)
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:
4-isopropylcyclohexanol
EC Number:
225-035-0
EC Name:
4-isopropylcyclohexanol
Cas Number:
4621-04-9
Molecular formula:
C9H18O
IUPAC Name:
4-(propan-2-yl)cyclohexan-1-ol
Test material form:
liquid

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
2.7
Temp.:
35 °C
Remarks on result:
other: Log Pow of the trans isomer. Non-buffered mobile phase
Type:
log Pow
Partition coefficient:
2.8
Temp.:
35 °C
Remarks on result:
other: Log Pow of the cis isomer. Non-buffered mobile phase
Details on results:
- The HPLC chromatogram of the test substance shows two large peaks (at 3.9 and 4.1 minutes) and 3 very small peaks. The largest peak at 3.9 minutes is assumed to derive from the trans isomer and the second large peak at 4.1 minutes is assumed to derive from the cis isomer. The very small peaks were not taken into account.
- The average retention time of Thiourea was 1.71 minutes
- The reference substances eluted between 2 and 16 minutes

Any other information on results incl. tables

 

 

Retention time 1st measurement [minutes]

Retention time 2nd measurement [minutes]

Average [minutes]

log k

Trans isomer

3.918

3.923

3.921

0.1124

Cis isomer

4.118

4.124

4.121

0.1501

 

 

Applicant's summary and conclusion

Conclusions:
The log Pow of the substance has been determined using the HPLC method (GLP-compliant study in accordance with EC A.8 and OECD 117). The HPLC chromatogram of the substance showed two large peaks. The largest peak (trans isomer) corresponds to a log Pow of 2.7 and the second peak (cis isomer) corresponds to a log Pow of 2.8.