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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1-benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine, salt with p-toluenesulfonic acid
EC Number:
606-457-8
Cas Number:
201855-54-1
Molecular formula:
C18H17FN*C7H8O3S
IUPAC Name:
1-benzyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine, salt with p-toluenesulfonic acid
Test material form:
solid: crystalline

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
<= 0.5
Temp.:
20 °C
pH:
7.1
Details on results:
Determination of the partition coefficient of Tetrahydro-Pyridine-Tosilate was based on the measurement of retention time of the test and reference items by reverse phase HPLC method. The retention times of the test and reference items were determined in two replicates injecting twice both of them. The test item was dissolved in methanol and diluted in the mobile phase (methanol/ultrapure water (60:40)) to obtain a final concentration of 100 mg/l.

Applicant's summary and conclusion

Conclusions:
The value of partition coefficient of Tetrahydro-Pyridine-Tosilate (CAS No. 201855-54-1) was determined by Microsoft Office Excel 2013: logPow= <0.5