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Partition coefficient

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Reference
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
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
high-performance liquid chromatography
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.

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

Description of key information

Log Pow = 2.2 at 25°C (OECD 117, EU A8)

Key value for chemical safety assessment

Log Kow (Log Pow):
2.2
at the temperature of:
25 °C

Additional information