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EC number: 233-986-8 | CAS number: 10482-56-1
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:
- 12 July 2018 - 27 July 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Test method according to EEC A.8 and OECD 107. GLP study.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.25
- Temp.:
- 20 °C
- pH:
- >= 6.49 - <= 6.86
- Details on results:
- The partition coefficient 1-octanol/water (log Kow) at 20.0 ± 1.0ºC of l-alpha terpineol was found to be 2.25 ± 0.03 (pH 6.49 - 6.86).
- Conclusions:
- The experimentally obtained value of log Kow of laevo alpha terpineol at 20.0ºC is 2.25.
- Executive summary:
The partition coefficient 1-octanol/water (log Kow) of laevo alpha terpineol was determined according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was determined by a validated GC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 2.25 ± 0.03 (pH 6.49 - 6.86).
Reference
Table 1. Results of measurements at 20 ºC:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
|
Temperature, °C |
20.1 |
20.0 |
20.0 |
||||
Volume of added stock solution, mL |
1 |
1 |
1 |
1 |
1 |
1 |
|
Volume of water, mL |
5 |
5 |
3.3 |
3.3 |
6.7 |
6.7 |
|
Volume of 1-octanol, mL |
4 |
4 |
5.7 |
5.7 |
2.3 |
2.3 |
|
Volume 1-octanol phase/volume of water phase |
1:1 |
2:1 |
1:2 |
||||
Laevo alpha terpineol concentration in water phase, g/L |
0.0045 |
0.0047 |
0.0039 |
0.0043 |
0.0075 |
0.0073 |
|
Laevo alpha terpineol concentration in 1-octanol phase, g/kg |
1.0709 |
1.0573 |
0.8236 |
0.8210 |
1.6408 |
1.6230 |
|
Laevo alpha terpineol concentration in 1-octanol phase, g/L |
0.8835 |
0.8723 |
0.6795 |
0.6773 |
1.3537 |
1.3390 |
|
Mass of Laevo alpha terpineol in water phase ∙103, g |
0.0225 |
0.0235 |
0.0129 |
0.0142 |
0.0503 |
0.0489 |
|
Mass of Laevo alpha terpineol in 1-octanol phase ∙103, g |
4.4175 |
4.3614 |
4.5524 |
4.5381 |
4.4671 |
4.4186 |
|
Mass of Laevo alpha terpineol in both phases ∙103, g |
4.4400 |
4.3849 |
4.5653 |
4.5523 |
4.5174 |
4.4675 |
|
Added mass of Laevo alpha terpineol ∙103, g |
4.5165 |
4.5165 |
4.5165 |
4.5165 |
4.5165 |
4.5165 |
|
Table 2. Calculated values of partition coefficient 1-octanol/water
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
|
Volume 1-octanol phase/volume of water phase |
1:1 |
2:1 |
1:2 |
||||
Pow= C1-octanol/Cwater |
196.33 |
185.59 |
174.22 |
157.52 |
180.49 |
183.42 |
|
log Pow= Log(C1-octanol/Cwater) |
2.29 |
2.27 |
2.24 |
2.20 |
2.26 |
2.26 |
|
Average log Pow+ standard deviation |
2.28 ± 0.02 |
2.22 ± 0.03 |
2.26 ± 0.00 |
||||
Average log Pow+ standard deviation |
2.25±0.03 |
||||||
Table 3. Measured pH values:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
pH before test |
6.38 |
6.38 |
6.38 |
6.38 |
6.38 |
6.38 |
pH after test |
6.55 |
6.86 |
6.49 |
6.49 |
6.72 |
6.51 |
Description of key information
Key study. Test method according to OECD 107 / EU Method A.8 (shake flask method), GLP study. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item is 2.25.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.25
- at the temperature of:
- 20 °C
Additional information
Key study: The partition coefficient 1-octanol/water (log Kow) of laevo alpha terpineol was determined according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was determined by a validated GC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 2.25 ± 0.03 (pH 6.49 - 6.86).
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