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EC number: 947-748-2 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- Summary of available data used for the endpoint assessment of the target substance
- Adequacy of study:
- key study
- Justification for type of information:
- Justification for read across see attached in section 13.
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Type of method:
- column elution method
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 5.3 - <= 6.6
- Remarks on result:
- other: Source: CAS 19321-40-5
- Water solubility:
- < 0.15 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.6 - <= 6.7
- Remarks on result:
- other: Source: CAS 68440-09-5
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.7 - <= 6.9
- Remarks on result:
- other: Source: CAS 68604-44-4
- Conclusions:
- The water solubility for Fatty acids lanolin, di-, tri- and tetraesters with pentaerythritol and rape fatty acid can be deduced to be: <0.15 mg/L at 20 °C.
- Executive summary:
The water solubility of this substance was deduced from the measurement of three similar substances: Pentaerythritol tetraoleate (CAS 19321-40-5), Fatty acids, lanolin, esters with pentaerythritol (CAS 68440-09-5) and Fatty acids, C16-18 and C18-unsatd., tetraesters with Pentaerythritol (CAS 68604-44-4). The water solubility for these substances was determined to be <0.05 mg/L, < 0.15 mg/L and <0.05 mg/L respectively, all at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).
The source substances and the target substance have structural similarities and therefore the water solubility of the target substance can be deduced to be < 0.15 mg/L at 20°C. This result is taken as a worst case approach, since it is the highest water solubility from the 3 source substances.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 07 Dec - 14 Dec 2011
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- L142 A/57-66
- GLP compliance:
- no
- Type of method:
- column elution method
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 5.3 - <= 6.6
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- L142 A57/-66
- GLP compliance:
- no
- Type of method:
- column elution method
- Water solubility:
- < 0.15 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.6 - <= 6.7
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 Feb - 17 Feb 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- no
- Type of method:
- column elution method
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.7 - <= 6.9
Referenceopen allclose all
Quantitative determination of the analyte:
Flow rate (mL/h) |
Fraction No. |
Water solubility ofPentaerythritol tetraoleate, mg/L |
pH value |
25.0 |
1 (1-2) |
< 0.05 |
6.2 |
|
2 (3-4) |
< 0.05 |
6.5 |
|
3 (5-6) |
< 0.05 |
6.5 |
|
4 (7-8) |
< 0.05 |
6.5 |
|
5 (9-10) |
< 0.05 |
6.6 |
|
6 (11-12) |
< 0.05 |
6.6 |
|
7 (13-14) |
< 0.05 |
6.6 |
|
8 (15-16) |
< 0.05 |
6.6 |
|
|
|
|
12.5 |
1 (1-2) |
< 0.05 |
5.3 |
|
2 (3-4) |
< 0.05 |
5.4 |
|
3 (5-6) |
< 0.05 |
5.4 |
|
4 (7-8) |
< 0.05 |
5.4 |
|
5 (9-10) |
< 0.05 |
5.5 |
|
6 (11-12) |
< 0.05 |
5.5 |
|
7 (13-14) |
< 0.05 |
5.5 |
Flow rate (mL/h) |
Fraction No. |
Water solubility ofFatty acids, lanolin, esters with pentaerythritol, mg/L |
pH value |
25.0 |
1 (1-2) |
< 0.15 |
6.7 |
|
2 (3-4) |
< 0.15 |
6.7 |
|
3 (5-6) |
< 0.15 |
6.7 |
|
4 (7-8) |
< 0.15 |
6.7 |
|
5 (9-10) |
< 0.15 |
6.7 |
|
6 (11-12) |
< 0.15 |
6.7 |
|
7 (13-14) |
< 0.15 |
6.7 |
|
8 (15-16) |
< 0.15 |
6.7 |
|
|
|
|
12.5 |
1 (1-2) |
< 0.15 |
6.7 |
|
2 (3-4) |
< 0.15 |
6.6 |
|
3 (5-6) |
< 0.15 |
6.7 |
|
4 (7-8) |
< 0.15 |
6.6 |
|
5 (9-10) |
< 0.15 |
6.7 |
|
6 (11-12) |
< 0.15 |
6.6 |
|
7 (13-14) |
< 0.15 |
6.6 |
| 8 (15 -16) | < 0.15 | 6.6 |
The calibration curve fits over the whole working range from 0.06 – 6.04 mg/L with linar fit (r²=1.000).
In course of the recovery experiment, an average recovery rate of 104% were determined.
Quantitative determination of the analyte:
Flow rate (mL/h) |
Fraction No. |
Water solubility of Fatty acid, C16-18, tetraesters with 3,3’ oxybis(1,2-propanediol), mg/L |
pH value |
25.0 |
1 (1-2) |
< 0.05 |
6.9 |
|
2 (3-4) |
< 0.05 |
6.8 |
|
3 (5-6) |
< 0.05 |
6.6 |
|
4 (7-8) |
< 0.05 |
6.7 |
|
5 (9-10) |
< 0.05 |
6.7 |
|
6 (11-12) |
< 0.05 |
6.7 |
|
7 (13-14) |
< 0.05 |
6.7 |
|
8 (15-16) |
< 0.05 |
6.7 |
|
|
|
|
12.5 |
1 (1-2) |
< 0.05 |
6.7 |
|
2 (3-4) |
< 0.05 |
6.7 |
|
3 (5-6) |
< 0.05 |
6.8 |
|
4 (7-8) |
< 0.05 |
6.7 |
|
5 (9-10) |
< 0.05 |
6.7 |
|
6 (11-12) |
< 0.05 |
6.7 |
|
7 (13-14) |
< 0.05 |
6.8 |
| 8 (15 -16) | < 0.05 | 6.8 |
In course of the recovery experiment, an average recovery rate of 118% were determined.
The calibration was performed with 6 calibration levels. The calibration curve fits over the whole woking range from 0.06 to 6.14 mg/L with r²=0.9993. Due to the wide calibration range, quadratic fit was used. pH value Millipore water: 6.5
Description of key information
< 0.15 mg/L at 20 °C
Key value for chemical safety assessment
Additional information
The water solubility of this substance was deduced from the measurement of three similar substances: Pentaerythritol tetraoleate (CAS 19321-40-5), Fatty acids, lanolin, esters with pentaerythritol (CAS 68440-09-5) and Fatty acids, C16-18 and C18-unsatd., tetraesters with Pentaerythritol (CAS 68604-44-4). The water solubility for these substances was determined to be <0.05 mg/L, < 0.15 mg/L and <0.05 mg/L respectively, all at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).
The source substances and the target substance have structural similarities and therefore the water solubility of the target substance can be deduced to be < 0.15 mg/L at 20°C. This result is taken as a worst case approach, since it is the highest water solubility from the 3 source substances.
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Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
