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EC number: 203-885-3 | CAS number: 111-59-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
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- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
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- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
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- Nanomaterial surface chemistry
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- Nanomaterial pour density
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- Endpoint summary
- Stability
- Biodegradation
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- Transport and distribution
- Environmental data
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- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
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- Long-term toxicity to aquatic invertebrates
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- Endocrine disrupter testing in aquatic vertebrates – in vivo
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- Toxicological Summary
- Toxicokinetics, metabolism and distribution
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- Additional toxicological data

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:
- 2017
- 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)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Name: 9-Octadecenoic acid (9Z)-, propyl ester
Product Description: Propyl oleate
CAS No.: 111-59-1
Physical state: pale yellow to yellow liquid at 20 °C
Batch No.: 37584
Re-certification date of batch: 08 March 2018
Purity: > 99 % (fatty acid propyl esters, max water content 0.3 % (w/w))
Free Fatty Acid, % Oleic: 0.1
Color, Gardner: 3
Iodine Value, cg I2/g 75
Cloud Point, degrees C 0
Saponification Number, mg KOH/g 177
Moisture, % 0,07
Stability: stable under test conditions
Storage condition of test material: Room temperature, protected from light - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 6.2 - <= 8
- Temp.:
- 40 °C
- Remarks on result:
- other: calculated by extrapolation
- Conclusions:
- The partition coefficient of the test item Propyl oleate was determined according to OECD Guideline 117 (HPLC method). The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation, the following partition coefficient can be reported: log POW = 6.2 – 8.0.
- Executive summary:
The partition coefficient of the test item Propyl oleate was determined according to OECD Guideline 117 (HPLC method). The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation, the following partition coefficient can be reported: log POW = 6.2 – 8.0. The retention times of the reference items ranging from 2.7 to 6.2 minutes and the test item elutes from 10.8 minutes to 33.1 minutes.
Reference
Results
Calibration
By analysis of six different reference items via HPLC the corresponding retention times can be determined. By relating the logarithm of the determined capacity factors (log k) to the corresponding log POW values (known from literature), a calibration curve was set up.
Calibration equation: y = 3.2684x + 4.3508 (with x = log k and y = log POW)
Table: Partition Coefficients of the test item
Peak | Average Area [%] | Average t(R) | log Pow |
Peak 1 | 1.36 | 10.81 | 6.19 |
Peak 2 | 0.94 | 11.55 | 6.31 |
Peak 3 | 0.80 | 15.59 | 6.82 |
Peak 4 | 2.80 | 17.36 | 7.00 |
Peak 5 | 5.41 | 17.98 | 7.06 |
Peak 6 | 10.02 | 20.59 | 7.28 |
Peak 7 | 1.47 | 21.80 | 7.37 |
Peak 8 | 1.31 | 22.84 | 7.44 |
Peak 9 | 68.6 | 29.07 | 7.82 |
Peak 10 | 6.23 | 31.50 | 7.94 |
Peak 11 | 1.10 | 33.07 | 8.02 |
The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation given in chapter 7.1, the following partition coefficient can be reported:
log POW = 6.2 – 8.0
Description of key information
The partition coefficient of the test item Propyl oleate was determined according to OECD Guideline 117 (HPLC method). The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation, the following partition coefficient can be reported: log POW = 6.2 – 8.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.2
- at the temperature of:
- 40 °C
Additional information
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