Registration Dossier

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
Study period:
The study was conducted between 01 November 2017 and 26 May 2018.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification: PG-RAW-0004
Appearance/physical state: clear, colorless liquid
Storage conditions: approximately 4 °C, in the dark
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 2.75 - <= 4.86
Temp.:
30 °C
pH:
5.9
Details on results:
Preliminary Estimate
The log10 Pow was calculated to be 3.76 for both major components identified by the Sponsor.

DefinitiveTest

Calibration 

The retention times of the dead time and the retention times, capacity factors (k') and log10 Powvalues for the reference standards are shown in the following tables:

Dead time

Retention Time (mins)

Mean Retention Time (mins)

Injection 1

Injection 2

Thiourea

1.469

1.469

1.469

Standard

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Injection 1

Injection 2

Mean

2-Butanone

1.663

1.656

1.660

0.1297

-0.8871

0.3

Benzyl alcohol

1.793

1.793

1.793

0.2206

-0.6565

1.1

Benzene

2.779

2.779

2.779

0.8918

-4.975 x 10-2

2.1

Toluene

3.751

3.744

3.748

1.551

0.1906

2.7

Naphthalene

4.889

4.889

4.889

2.328

0.3670

3.6

Phenanthrene

10.526

10.555

10.541

6.175

0.7907

4.5

Triphenylamine

35.309

35.359

35.334

23.05

1.363

5.7

Partition coefficient of sample

The retention times, capacity factor and log10Pow value determined for the sample are shown in the following table:

Peak Number

Injection

Retention Time (mins)

Capacity Factor (k')

Log10k'

Log10Pow

Mean
Log10Pow

1

1

3.391

1.308

0.1167

2.75

2.75

2

3.391

1.308

0.1167

2.75

2

1

10.476

6.131

0.7876

4.38

4.38

2

10.447

6.112

0.7862

4.38

3

1

13.162

7.960

0.9009

4.66

4.66

2

13.126

7.935

0.8996

4.65

4

1

15.170

9.327

0.9697

4.83

4.82

2

15.127

9.297

0.9684

4.82

5

1

15.718

9.700

0.9868

4.87

4.86

2

15.667

9.665

0.9852

4.86

Log10Powrange:                   2.75 to 4.86
Partition coefficient:
             566 to 7.31 x 104

Conclusions:
The partition coefficient of PG-RAW-004 has been determined to be in the range 566 to 7.31 x 10^4, log10 Pow 2.75 to 4.86. under OECD TG 117 (HPLC method) in compliance with GLP.

Executive summary:

The partition coefficient of PG-RAW-004 has been determined to be in the range 566 to 7.31 x 104, log10 Pow 2.75 to 4.86. under OECD TG 117 (HPLC method) in compliance with GLP.

Description of key information

The partition coefficient of PG-RAW-0004 has been determined to be in the range 566 to 7.31 x 104, log10 Pow 2.75 to 4.86 under OECD TG 117 (HPLC method) in compliance with GLP.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.86
at the temperature of:
30 °C

Additional information