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EC number: 305-515-7 | CAS number: 94581-16-5
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:
- June 2016 - December 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study is well documented and performed in line with standard guidelines. Study done to GLP.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: Resin acids and Rosin acids, maleated, esters with glycerol
CAS Number: 94581-16-5
Appearance/Physical state: yellow solid
Batch Number: 168000
Purity: 100%
Expiry: 01 March 2017
Storage conditions: Approximately 4°C, in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 30 °C
- pH:
- 6.7
- Remarks on result:
- other:
- Remarks:
- testing was performed without any pH manipulation to the mobile phase
- Details on results:
- Preliminary Estimate: The log10 Pow was calculated to be: 5.13.
Discussion: The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item. As the test item contained no definitive modes of dissociation, testing was performed without any pH manipulation to the mobile phase. - Conclusions:
- The partition coefficient of the test item has been determined to be in the range 5.26 x 10^5 to greater than 3.16 x 10^6, log10 Pow 5.72 to greater than 6.50. The test item with a 95.9% putiry has a log greater than 6.50.
- Executive summary:
The Log10 Pow of Resin acids and Rosin acids, maleated, esters with glycerol was determined by the HPLC Method, in accordance with OECD Guideline 117. The log10 Pow of the test item was determined to be >6.5.
Reference
Table 2. Retention time, capacity and Log10 Pow of standards and control.
Standard |
Injection 1 retention time (mins) |
Injection 2 retention time (mins) |
Mean retention time |
Capacity factor (k') | Log10 k' | Log10 Pow |
Thiourea (dead time) |
1.594 |
1.594 |
1.594 |
- | - | - |
| Benzonitrile | 1.885 | 1.883 | 1.884 | 0.182 | -0.740 | 1.6 |
Benzene |
2.353 |
2.348 |
2.351 |
0.475 |
-0.323 |
2.1 |
Toluene |
2.792 |
2.787 |
2.790 |
0.750 |
-1.25 |
2.7 |
Napthalene |
3.202 |
3.197 |
3.200 |
1.01 |
3.29 |
3.6 |
Phenanthrene |
4.993 |
4.981 |
4.987 |
2.13 |
3.28 |
4.5 |
DDT |
14.246 |
14.233 |
14.239 |
7.93 |
8.99 |
6.5 |
Table 3. Retention time, capacity and Log10 Pow of sample
Peak |
Injection |
Retention time (min) |
Capacity Factor (k’) |
Log10 Pow |
Log10Pow |
Mean Log10Pow |
Mean area% |
1 |
1 |
9.393 |
4.89 |
0.69 |
5.72 |
5.72 |
0.18 |
2 |
9.396 |
4.9 |
0.69 |
5.72 |
|||
2 |
1 |
11.031 |
5.92 |
0.772 |
5.99 |
6 |
0.65 |
2 |
11.065 |
5.94 |
0.774 |
6 |
|||
3 |
1 |
12.048 |
6.56 |
0.817 |
6.13 |
6.14 |
3.3 |
2 |
12.069 |
6.57 |
0.818 |
6.14 |
|||
4 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
10.65 |
2 |
13.789 |
7.65 |
0.884 |
6.35 |
|||
5 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
0.27 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
6 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
1.56 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
7 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
15.36 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
8 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
10.11 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
9 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
21.32 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
10 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
7.39 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
11 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
1.02 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
12 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
4.31 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
13 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
2.33 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
14 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
7.26 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
15 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
0.18 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
|||
16 |
1 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
>6.50 |
0.65 |
2 |
>14.246 |
>7.93 |
>0.899 |
>6.50 |
Description of key information
The Log10 Pow of esters of maleated rosin with glycerol was determined by the HPLC Method, in accordance with OECD Guideline 117. The log10 Pow of the test item was determined to be >6.5.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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