Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
28 March-27 June 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP compliant study according to guideline

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
(2004)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(OJEU no. L142, May 31, 2008)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Identification: Neosolue-Aqulio
Molecular formula: C20H36O8
Molecular weight: 404.5
CAS Number: 922165-31-9
Description: Clear colourless to very pale yellow liquid
Batch: TVI-714
Purity: 99.5% (GC)
Test substance storage: At room temperature in the dark
Stability under storage conditions: Stable
Expiry date: 07 October 2012 (Retest date)

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
2.4
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: neutral pH;  Component I; peak area = 33%
Type:
log Pow
Partition coefficient:
2.5
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: neutral pH;  Component II; peak area = 62%
Type:
log Pow
Partition coefficient:
2.8
Temp.:
25 °C
pH:
ca. 7
Remarks on result:
other: neutral pH;  Component III; peak area = 4.2%
Details on results:
Under the conditions of the test, the chromatograms of the test substance showed three peaks. The identity of the components responsible for the response in the HPLC-UV has not been determined.

Any other information on results incl. tables

The results of the HPLC method are given in the Table below. The equation of the regression line (log k’ of the reference substances as function of log Pow.) was: log k’ = 0.497xlog Pow– 0.656 (r = 0.996, n = 14).

Substance

tr,1
[min]

tr,2
[min]

mean tr
(n=2)

log Pow

Pow

Area
%

Formamide (t0)

1.128

1.127

1.128

 

 

 

Benzylalcohol

1.896

1.896

 

1.1

 

 

Nitrobenzene

3.356

3.355

 

1.9

 

 

Toluene

7.831

7.830

 

2.7

 

 

Bromobenzene

9.181

9.181

 

3.0

 

 

1,4-Dichlorobenzene

13.744

13.744

 

3.4

 

 

Biphenyl

24.344

24.343

 

4.0

 

 

1,2,4-Trichlorobenzene

28.231

28.229

 

4.2

 

 

 

 

 

 

 

 

 

NS203029-Peak 1

5.133

5.131

5.132

2.4

2.7´102

33

NS203029-Peak 2

5.416

5.414

5.415

2.5

3.1´102

62

NS203029-Peak 3

7.387

7.384

7.386

2.8

6.6´102

4.2

Applicant's summary and conclusion

Conclusions:
The Pow and log Pow values of the test substance at neutral pH were determined using the HPLC method. Under the chosen condition, three peaks were observed in the chromatogram:
Peak 1: Pow = 2.7 x 10^2, log Pow = 2.4 (peak area%: 33)
Peak 2: Pow = 3.1 x 10^2, log Pow = 2.5 (peak area%: 62)
Peak 3: Pow = 6.6 x 10^2, log Pow = 2.8 (peak area%: 4.2)