Registration Dossier
Registration Dossier
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EC number: 292-792-1 | CAS number: 90990-29-7
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 27 Feb to 13 Mar 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study (solubility below limit of detection).
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Principles of method if other than guideline:
- L142 A/57-66
- GLP compliance:
- no
- Type of method:
- column elution method
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.4 - <= 6.5
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 23 Jan to 09 Feb 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study (solubility below limit of detection).
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Principles of method if other than guideline:
- L142 A/57-66
- GLP compliance:
- no
- Type of method:
- column elution method
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.1 - <= 6.6
- Endpoint:
- water solubility
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- 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
- 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:
- >= 6.1 - <= 6.6
- Remarks on result:
- other: Source: CAS 3687-45-4
- Water solubility:
- < 0.05 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.4 - <= 6.5
- Remarks on result:
- other: Source: CAS 17673-56-2
- Conclusions:
- The water solubility for Fatty acids, C16 and C18-22 - unsatd., C16-18 and C18 unsatd. alkyl esters can be deduced to be: <0.05 mg/L at 20 °C.
- Executive summary:
The water solubility of this substance was deduced from the measurement of two similar substances: (Z)-octadec-9-enyl oleate (CAS 3687-45-4) and (Z)-octadec-9-enyl (Z)-docos-13-enoate (CAS 17673-56-2). The water solubility for these substances was determined to be <0.05 mg/L at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).
The source substances are esters of unsaturated fatty acids (chain length C18 respectively C22) with unsaturated alcohol components (chain length C18). They are main constituentes of the target substance and are structurally very similar to the other constituents of the target substance. Therefore the water solubility for the target substance is similar to the water solubility of the source substances. The water solubility for Fatty acids, C16 and C18-22 - unsatd., C16-18 and C18 unsatd. alkyl esters can be deduced to be: <0.05 mg/L at 20 °C.
Referenceopen allclose all
Quantitative determination of the analyte
Flow rate (mL/h) |
Fraction No. |
Water Solubility of test item mg/L |
pH value |
25.0 |
1 (1-2) |
< 0.05 |
6.4 |
|
2 (3-4) |
< 0.05 |
6.4 |
|
3 (5-6) |
< 0.05 |
6.4 |
|
4 (7-8) |
< 0.05 |
6.5 |
|
5 (9-10) |
< 0.05 |
6.4 |
|
6 (11-12) |
< 0.05 |
6.4 |
|
7 (13-14) |
< 0.05 |
6.4 |
|
8 (15-16) |
< 0.05 |
6.4 |
|
|
|
|
12.5 |
1 (1-2) |
< 0.05 |
6.4 |
|
2 (3-4) |
< 0.05 |
6.4 |
|
3 (5-6) |
< 0.05 |
6.4 |
|
4 (7-8) |
< 0.05 |
6.5 |
|
5 (9-10) |
< 0.05 |
6.4 |
|
6 (11-12) |
< 0.05 |
6.5 |
|
7 (13-14) |
< 0.05 |
6.4 |
|
8 (15-16) |
< 0.05 |
6.5 |
All analysed fractions (at 12.5 mL/h and 25 mL/h) contained below 0.05 mg/L (limit of detection) of the test item.
The calibration curve fits over the whole working range from 0.05 to 2.17 mg/L with r²=1. Due to the wide calibration range, quadratic fit was used.
In the course of the recovery experiment, an average recovery rate of 113% was found.
Quantitative determination of the analyte
Flow rate (mL/h) |
Fraction No. |
Water Solubility of Oleyl oleate / (Z)-octadec-9-enyl oleate mg/L |
pH value |
25.0 |
1 (1-2) |
< 0.05 |
6.6 |
|
2 (3-4) |
< 0.05 |
6.6 |
|
3 (5-6) |
< 0.05 |
6.5 |
|
4 (7-8) |
< 0.05 |
6.6 |
|
5 (9-10) |
< 0.05 |
6.5 |
|
6 (11-12) |
< 0.05 |
6.5 |
|
7 (13-14) |
< 0.05 |
6.6 |
|
8 (15-16) |
< 0.05 |
6.6 |
|
|
|
|
12.5 |
1 (1-2) |
< 0.05 |
6.4 |
|
2 (3-4) |
< 0.05 |
6.4 |
|
3 (5-6) |
< 0.05 |
6.1 |
|
4 (7-8) |
< 0.05 |
6.3 |
|
5 (9-10) |
< 0.05 |
6.3 |
|
6 (11-12) |
< 0.05 |
6.2 |
|
7 (13-14) |
< 0.05 |
6.5 |
|
8 (15-16) |
< 0.05 |
6.4 |
All analysed fractions (at 12.5 mL/h and 25 mL/h) contained below 0.05 mg/L (limit of detection) of the test item.
The calibration curve fits over the whole working range from 0.05 to 5.3 mg/L with r²=0.998. Due to this wide calibration range, quadratic fit was used.
In the course of recovery experiment, a recovery rate of 100.0% was found.
Description of key information
< 0.05 mg/L at 20 °C (read-across from similar substances)
Key value for chemical safety assessment
Additional information
The water solubility of this substance was deduced from the measurement of two similar substances: (Z)-octadec-9-enyl oleate (CAS 3687-45-4) and (Z)-octadec-9-enyl (Z)-docos-13-enoate (CAS 17673-56-2). The water solubility for these substances was determined to be <0.05 mg/L at 20 °C (column elution method analysed by GC/MS according to EU Method A.6).
The source substances are esters of unsaturated fatty acids (chain length C18 respectively C22) with unsaturated alcohol components (chain length C18). They are main constituentes of the target substance and are structurally very similar to the other constituents of the target substance. Therefore the water solubility for the target substance is similar to the water solubility of the source substances. The water solubility for Fatty acids, C16 and C18-22 - unsatd., C16-18 and C18 unsatd. alkyl esters can be deduced to be: <0.05 mg/L at 20 °C.
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