Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2011-12-20 to 2011-12-21
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
GLP compliance:
yes (incl. certificate)
Remarks:
signed 2010-10-20
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline
Details on test material:
- Physical state: solid, whitish to white crystals
- Stability under test conditions: Not specified, assumed to be stable
- Storage condition of test material: ambient temperature, dark, dry and in original container

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.95
Temp.:
22 °C
pH:
7.7
Details on results:
VALIDITY CRITERIA
The value of log Pow derived from repeated measurements made under identical conditions and using the same set of reference items fell within a range of ± 0.1 log units.
The correlation coefficient R for the calibration curves was 0.9900, R² was 0.9801.
The column temperature was kept in the range of 20 - 25 +/- 1 °C

Any other information on results incl. tables

Determination of the Dead Time

Serial no.

t0[min]

1

0.897

2

0.883

3

0.910

Mean

0.897

Calibration Data of the Reference Items

Reference item

tR
[min]

tRMean
[min]

k

 

logk

 

log POW

 

2-Butanone

1.083

1.083

0.207

-0.684

0.30

1.082

Acetanilide

1.155

1.166

0.300

-0.523

1.00

1.177

Acetophenone

1.423

1.432

0.596

-0.225

1.70

1.440

Anisole

2.138

2.153

1.401

0.146

2.10

2.167

Chlorobenzene

3.246

3.261

2.636

0.421

2.80

3.275

Benzophenone

2.789

2.815

2.139

0.330

3.20

2.841

4,4’-DDT

38.782

39.008

42.503

1.628

6.50

39.233

tR            : Retention time
k
             : Capacity factor reference item
log
POW  : Partition Coefficient(n-octanol / water)according to the guidelines

n.d.        : not determineable

Retention Times, Capacity Factors and Partition Coefficients

 

tR
[min]

k

logk

logPOW

DlogPOW

Test Item

5.483

5.115

0.709

3.945

0.006

5.511

5.146

0.711

3.951

Mean

 

 

 

3.95

 

Confidence interval
(95 %)

 

 

 

2.1641 –3.0128

 

tR      : Retention time

k      : Capacity factor test item

Pow   : Partition Coefficient (n-octanol / water) according to the guidelines

Applicant's summary and conclusion

Conclusions:
According to OECD Guideline 117 (2004) and Regulation (EC) No 440/2008 Method A.8, the partition coefficient (log Pow) of the substance is 3.95 at 22 °C/pH 7.7.