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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
6 July 1998 - 11 July 1998
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted to GLP in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
1998
Report Date:
1998

Materials and methods

Test guidelineopen allclose all
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
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
MMBC
Appearance: light brown powder
Storage conditions: ambient

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
4 470
Remarks on result:
other: At ambient temperature. No information provided on pH.
Type:
log Pow
Partition coefficient:
3.65
Remarks on result:
other: At ambient temperature. No information provided on pH.
Details on results:
From the chromatograms that were generated during the test it was evident that the test substance reacted with water in the mobile phase during analysis. This resulted in the gradual formation of the corresponding acid, MMBA. The identity of the component was confirmed by the analysis of the reference sample of MMBA. Unreacted test substance was considered to occur at a retention time of 5.7 minutes.

The mean calibration curve was used to interpolate the results. The mean calibration curve produced was:
Log10 Pow = 6.39 log10k + 1.08

Where k = capacity factor = t’r / t0 = (tr - t0) / t0

t'r = true retention time obtained by subtracting deadtime, or t0, of I.D.S. from measured retention time of sample or reference.

A value for log10 Pow of the test substance of 3.65 was obtained (equivalent Pow = 4470).

Any other information on results incl. tables

Table 1 HPLC Determination of Pow

Sample

Component

tr (minutes)

k

log10k

log10Pow

Standard Run A

(t0 = 1.632 minutes)

 

Nitrobenzene

Bromobenzene

Naphthalene

Phenanthrene

Triphenylamine

DDT

3.815

5.109

5367

7.315

10.315

11.804

1.338

2.131

2.289

3.482

5.320

6. 233

0.126

0.328

0.360

0.542

0.726

0.795

1.9

3.0

3.6

4.5

5.7

6.2

Sample A

(t0 = 1.619 minutes)

MMBC

5.698

2.519

0.401

3.64

Sample B

(t0 = 1.615 minutes)

MMBC

5.697

2.528

0.403

3.65

Standard Run B

(t0 = 1.626 minutes)

Nitrobenzene

Bromobenzenc

Naphthalene

Phenanthrene

Triphenylamine

DDT

3.814

5.111

5.370

7.328

10.337

11.831

1.346

2.143

2.303

3.507

5.357

6.276

0.129

0.331

0.362

0.545

0.729

0.798

0.129

0.331

0.362

0.545

0.729

0.798

Linear regression (based on mean of standard runs A and B): log10Pow = 6.39 log10k + 1.08

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test substance was determined to be 4470 (log10 Pow = 3.65).
Executive summary:

The partition coefficient of the test substance was determined in accordance with standardised guidelines OECD 117 and EU Method A.8. Under the conditions of the test the partition coefficient of the test substance was determined to be 4470 (log10Pow = 3.65).