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EC number: 293-106-3 | CAS number: 91051-53-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 16 to December 25, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Fatty acids, safflower-oil, Et esters
- EC Number:
- 293-106-3
- EC Name:
- Fatty acids, safflower-oil, Et esters
- Cas Number:
- 91051-53-5
- IUPAC Name:
- Fatty acids, safflower-oil, Et esters
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Aspect : clear yellow liquid
Lot No. : 75131
Purity 75.8% Linoleic acid ethyl ester
Expiration date : August 19, 2018
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 5.8
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other: 4.6% rel. peak area
- Type:
- log Pow
- Partition coefficient:
- 5.9
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other: 2.5% rel. peak area
- Remarks:
- extrapolated
- Type:
- log Pow
- Partition coefficient:
- 6.3
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other: 7.9% rel. peak area
- Remarks:
- extrapolated
- Key result
- Type:
- log Pow
- Partition coefficient:
- 8.6
- Temp.:
- 35 °C
- pH:
- 7
- Remarks on result:
- other: 85.0% rel. peak area
- Remarks:
- extrapolated
Any other information on results incl. tables
| tR | k | log k | log Pow | |||
| Peak 1 | tR1 | 18.634 | 7.6229 | 0.8821 | 5.8 | |
| Peak 1 | tR2 | 18.847 | 7.7214 | 0.8877 | 5.8 | |
| Peak 1 | tRm | 18.741 | 7.6721 | 0.8849 | 5.8 | |
| Peak 2 | tR1 | 20.132 | 8.3161 | 0.9199 | 5.9* | |
| Peak 2 | tR2 | 20.191 | 8.3434 | 0.9213 | 5.9* | |
| Peak 2 | tRm | 20.162 | 8.3297 | 0.9206 | 5.9* | |
| Peak 3 | tR1 | 25.517 | 10.8080 | 1.0337 | 6.3* | |
| Peak 3 | tR2 | 25.585 | 10.8394 | 1.0350 | 6.3* | |
| Peak3 | tRm | 25.551 | 10.8237 | 1.0344 | 6.3* | |
| Peak 4 | tR1 | 113.597 | 51.5669 | 1.7124 | 8.6* | |
| Peak 4 | tR2 | 114.144 | 51.8200 | 1.7145 | 8.6* | |
| Peak 4 | tRm | 113.871 | 51.6934 | 1.7134 | 8.6* | |
| aR1 | aR2 | aRm | ||||
| Peak 1 | 118970 | 101562 | 4.6 | |||
| Peak 2 | 57664 | 60306 | 2.5 | |||
| Peak 3 | 186270 | 188608 | 7.9 | |||
| Peak 4 | 2097077 | 1949226 | 85.0 |
* Peak outside the calibration range !
Applicant's summary and conclusion
- Conclusions:
- In the conditions of the test, the chromatograms of Safester A-75 show four peaks at average retention times of 18.741 minutes (4.6% relative peak area), corresponding to a partition coefficient (log value) of 5.8; 20.162 minutes (2.5% relative peak area), corresponding to a partition coefficient (log value) of 5.9*; 25.551 minutes (7.9% relative peak area), corresponding to a partition coefficient (log value) of 6.3* and 113.871 minutes (85.0% relative peak area), corresponding to a partition coefficient (log value) of 8.6*.
Therefore:
Partition coefficients n-octanol/water of Safester A-75:
log Pow = 5.8; 5.9*; 6.3* and 8.6*
* indicative value, peak is outside calibration domain - Executive summary:
The Partition Coefficient n-octanol/water of Safester A-75 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of Safester A-75:
log Pow= 5.8; 5.9*; 6.3* and 8.6*
* indicative value, peaks is outside calibration domain
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