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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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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:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Details on test material:
- Name of test material (as cited in study report): WS400517
- Physical state: Off-white to pale yellow powder
- Analytical purity: Not applicable (complex mixture)
- Lot/batch No.: HH-09-168
- Expiration date of the lot/batch: 21 January 2011
- Storage condition of test material: Room temperature in the dark

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2.2
Temp.:
25 °C
Remarks on result:
other: pH not relevant
Details on results:
The test substance, which eluted as a very broad range of peaks between approximately 1.6 and 3.2 minutes, was thus found to have log10Pow values ranging from 0.5 to 4.6. The main chromatographic component at approximately 1.9 minutes was determined to have a log10Pow value of 2.2.

Any other information on results incl. tables

Table 1: HPLC determination of log10Pow(pH 7 test)

  

Sample

Component

tr(minutes)

k

log10k

log10Pow

 

 

 

 

 

 

Standard Run A

Acetanilide

1.616

0.128

-0.891

1.0

(t0= 1.432 minutes)

Nitrobenzene

1.963

0.371

-0.431

1.9

 

Ethylbenzoate

2.183

0.524

-0.280

2.6

 

Bromobenzene

2.489

0.738

-0.132

3.0

 

Benzylbenzoate

2.489

0.738

-0.132

4.0

 

DDT

4.814

2.362

0.373

6.2

 

 

 

 

 

 

Sample A

test material

1.623 to 3.246

0.133 to 1.265

-0.877 to 0.102

0.5 to 4.6

(t0= 1.433 minutes)

 

(1.910)*

(0.333)*

(-0.479)*

(2.2)*

 

 

Sample B

test material

1.623 to 3.250

0.132 to 1.266

-0.880 to 0.103

0.5 to 4.6

(t0= 1.434 minutes)

 

(1.910)*

(0.332)*

(-0.478)*

(2.2)*

 

 

Standard Run B

Acetanilide

1.620

0.129

-0.890

1.0

(t0= 1.435 minutes)

Nitrobenzene

1.967

0.371

-0.431

1.9

 

Ethylbenzoate

2.186

0.523

-0.281

2.6

 

Bromobenzene

2.493

0.737

-0.132

3.0

 

Benzylbenzoate

2.493

0.737

-0.132

4.0

 

DDT

4.822

2.360

0.373

6.2

 

 

 

 

 

 

*: Main chromatographic component

 

Linear regression (based on mean of standard runs A and B): log10Pow= 4.19 log10k + 4.16

Applicant's summary and conclusion