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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental starting date: December 4, 2015; Study completion date: December 14, 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
impurity
Test material form:
solid: particulate/powder

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
1.5
Temp.:
25 °C
pH:
1
Remarks on result:
other: main component
Type:
log Pow
Partition coefficient:
2.3
Temp.:
25 °C
pH:
1
Remarks on result:
other: subcomponent

Any other information on results incl. tables

 Measurement result:

 

Name

tR

k

Log k

Log Pow

Reference items

Thiourea (for dead time: t0)

2.19

Average t0= 2.19

2.19

2-Butanone

3.11

0.420

-0.377

0.3

3.12

0.425

-0.372

0.3

Acetanilide

4.10

0.872

-0.059

1.0

4.11

0.877

-0.057

1.0

Benzyl alcohol

4.43

1.023

0.010

1.1

4.44

1.027

0.012

1.1

Phenoxyacetic acid

5.31

1.425

0.154

1.4

5.33

1.434

0.156

1.4

Cinnamic acid

10.46

3.776

0.577

2.1

10.49

3.790

0.579

2.1

4-Phenyl phenol

29.48

12.461

1.096

3.2

29.58

12.507

1.097

3.2

Test item

Main component

5.96

1.721

0.236

1.5

5.96

1.721

0.236

1.5

Subcomponent

11.24

4.132

0.616

2.3

11.25

4.137

0.617

2.3

t0= dead time (min)

tR = retention time (min)

k (capacity factor) = (tR– t0) / t0

Regression equation of regression line in measurement conditions

Log Pow = 1.926 x log k + 1.065

Applicant's summary and conclusion

Conclusions:
Each average of the measured log Pow of the test item was 1.5 (main component) and 2.3 (subcomponent) and each difference between two measured values was 0.0. It is judged that the test results are valid because the difference between two measured values is less than ± 0.1.
Executive summary:

This study was performed to obtain the 1 -octanol/water coefficient of CIM-43 using method OECD 117, HPLC method.

Test equipment: High performance liquid chromatograph (HPLC)

Eluent: Methanol / buffer (pH 1.0) (1/1 v/v)

Test temperature: 25 ± ºC

Results:

Main component:

Log Pow

Measured value

Average

1.5

1.5

1.5

Subcomponent:

Log Pow

Measured value

Average

2.3

2.3

2.3