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EC number: 293-693-6 | CAS number: 91081-84-4 By-product, containing primarily carbohydrates, produced by an ethanolic extraction of defatted soybean meal.
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 04 January 2018 to 30 March 2018
- 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)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- 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:
- Pow
- Partition coefficient:
- > 3 200 000
- Temp.:
- 30 °C
- pH:
- 3
- Key result
- Type:
- Pow
- Partition coefficient:
- < 2
- Temp.:
- 30 °C
- pH:
- 3
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 30 °C
- pH:
- 3
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 30 °C
- pH:
- 3
- Details on results:
- CALIBRATION
- The retention times of the dead time and the retention times, capacity factors (k') and log10 Pow values for the reference standards were determined.
PARTITION COEFFICIENT OF THE SAMPLE
- The retention times, capacity factor and log10 Pow value determined for the test material.
- Overall log10 Pow: In the range < 0.3 to > 6.5
- Partition coefficient: In the range < 2.0 to > 3.2 x 10^6
DISCUSSION
- From information supplied by the Sponsor, the test material is a complex mixture (UVCB). Therefore, testing was performed using the HPLC method.
- From information supplied by the Sponsor, some of the test material components were known to be carboxylic acids. Therefore, the mobile phase was adjusted to pH 3 to ensure that these components of the test material were tested in their non-ionised form. - Conclusions:
- Under the conditions of this study, the partition coefficient of the test material at pH 3 was determined to be in the range less than 2.0 to greater than 3.2 x 10^6, log10 Pow in the range less than 0.3 to greater than 6.5.
- Executive summary:
The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.8, under GLP conditions.
From information supplied by the Sponsor, the test material is a complex mixture (UVCB). Therefore, testing was performed using the HPLC method. From information supplied by the Sponsor, some of the test material components were also known to be carboxylic acids. Therefore, the mobile phase was adjusted to pH 3 to ensure that these components of the test material were tested in their non-ionised form.
Under the conditions of this study, the partition coefficient of the test material at pH 3 was determined to be in the range less than 2.0 to greater than 3.2 x 10^6, log10 Pow in the range less than 0.3 to greater than 6.5.
Reference
Table 1: Retention Times of the Dead Time
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.909 |
1.909 |
1.909 |
Table 2: Reference Standards
Standard |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
||
Injection 1 |
Injection 2 |
Mean |
||||
2-Butanone |
2.426 |
2.424 |
2.425 |
0.270 |
-0.567 |
0.3 |
Toluene |
6.439 |
6.407 |
6.423 |
2.36 |
0.374 |
2.7 |
Naphthalene |
8.355 |
8.304 |
8.330 |
3.36 |
0.527 |
3.6 |
Phenanthrene |
16.410 |
16.254 |
16.332 |
7.55 |
0.878 |
4.5 |
Triphenylamine |
43.891 |
43.285 |
43.588 |
21.8 |
1.339 |
5.7 |
DDT |
62.979 |
61.992 |
62.485 |
31.7 |
1.50 |
6.5 |
Table 3: Partition Coefficient of the Test Material
Peak |
Injection |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Pow |
Mean |
Mean |
1 |
1 |
1.883 |
< 0.270 |
< -0.569 |
< 0.3 |
< 0.3 |
72.0 |
2 |
1.885 |
< 0.270 |
< -0.569 |
< 0.3 |
|||
2 |
1 |
2.564 |
0.343 |
-0.465 |
0.491 |
0.491 |
8.5 |
2 |
2.564 |
0.343 |
-0.465 |
0.491 |
|||
3 |
1 |
7.166 |
2.75 |
0.440 |
3.18 |
3.18 |
0.6 |
2 |
7.162 |
2.75 |
0.439 |
3.18 |
|||
4 |
1 |
8.268 |
3.33 |
0.523 |
3.43 |
4.43 |
1.6 |
2 |
8.263 |
3.33 |
0.522 |
3.43 |
|||
5 |
1 |
13.501 |
6.07 |
0.783 |
4.21 |
4.21 |
0.2 |
2 |
13.506 |
6.07 |
0.783 |
4.21 |
|||
≥6 |
1 |
≥75.762 |
> 31.7 |
> 1.50 |
> 6.5 |
> 6.5 |
17.1 |
2 |
≥75.762 |
> 31.7 |
> 1.50 |
> 6.5 |
Description of key information
Under the conditions of this study, the partition coefficient of the test material at pH 3 was determined to be in the range less than 2.0 to greater than 3.2 x 10^6, log10 Pow in the range less than 0.3 to greater than 6.5.
Key value for chemical safety assessment
Additional information
The partition coefficient of the test material was investigated in accordance with the standardised guidelines OECD 117 and EU Method A.8, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
From information supplied by the Sponsor, the test material is a complex mixture (UVCB). Therefore, testing was performed using the HPLC method. From information supplied by the Sponsor, some of the test material components were also known to be carboxylic acids. Therefore, the mobile phase was adjusted to pH 3 to ensure that these components of the test material were tested in their non-ionised form.
Under the conditions of this study, the partition coefficient of the test material at pH 3 was determined to be in the range less than 2.0 to greater than 3.2 x 10^6, log10 Pow in the range less than 0.3 to greater than 6.5.
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