Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
April 13, 2004
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
August 1996
Deviations:
no
Qualifier:
according to
Guideline:
other: EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method.
Version / remarks:
March 1, 2016
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline
Remarks:
light yellow
Details on test material:
CH03216 / E1A

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
1.1
Temp.:
35 °C
pH:
2
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
35 °C
pH:
7
Details on results:
The Pow of the test item was calculated to be 2.2 102 (log Pow 2.3) using the Rekker calculation method.

The pKa values in the logarithm range of 1 - 14 for acidic and basic groups in the molecular structure of the test item were calculated using the Perrin calculation method. The calculated acidic pKa was 4.5, no basic pKa was determined

Applicant's summary and conclusion

Conclusions:
The HPLC method at pH 2 and pH 7 was applied for the determination of the partition coefficient (Pow) of 3,4,5,-TRIMETHOXYCINNAMIC ACID.
The log Pow values of the test item at pH 2 and pH 7 were 1.1 and <0.3, respectively.