Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

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
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
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 6.2
Temp.:
25 °C
pH:
4
Key result
Type:
log Pow
Partition coefficient:
<= 2.6
Temp.:
25 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
< 1
Temp.:
25 °C
pH:
9
Details on results:
pH 4 test: The majority of the components of the test material were found to have retention times greater than that of the highest reference standard, DDT, indicating log10Pow values of greater than 6.2.
pH 7 test: A calibration plot of log10k versus log10Pow was constructed for the reference standards. The logarithms of the capacity factors for the test substance were then calculated and the log10Pow values were determined by interpolation (see Table 1).
pH 9 test: The majority of the components of the test material were found to have retention times less than that of the lowest reference standard, acetanilide, indicating log10Pow values of less than 1.0.

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

 

Sample

Component

tr(minutes)

k

log10k

log10Pow

 

 

 

 

 

 

Standard Run A

Acetanilide

1.560

0.139

-0.858

1.0

(t0=1.370minutes)

Nitrobenzene

1.911

0.395

-0.404

1.9

 

Ethylbenzoate

2.133

0.557

-0.254

2.6

 

Bromobenzene

2.411

0.760

-0.119

3.0

 

Benzylbenzoate

2.463

0.798

-0.098

4.0

 

DDT

4.846

2.537

0.404

6.2

 

 

Sample A

test material

≤ 2.000

≤ 0.461

≤ -0.336

≤ 2.6

(t0= 1.369 minutes)

 

 

 

Sample B

test material

≤ 1.996

≤ 0.456

≤ -0.341

≤ 2.6

(t0= 1.371 minutes)

 

 

 

Standard Run B

Acetanilide

1.561

0.138

-0.861

1.0

(t0= 1.372 minutes)

Nitrobenzene

1.912

0.394

-0.405

1.9

 

Ethylbenzoate

2.135

0.556

-0.255

2.6

 

Bromobenzene

2.413

0.759

-0.120

3.0

 

Benzylbenzoate

2.464

0.796

-0.099

4.0

 

DDT

4.847

2.533

0.404

6.2

 

 

 

Linear regression (based on mean of standard runs A and B): log10Pow= 4.21 log10k + 4.05

 

Description of key information

Log Pow = >6.2, ≤ 2.6 and < 1.0 at pH 4, 7and 9 at 25°C (OECD 117, EU A8)

Key value for chemical safety assessment

Additional information