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EC number: - | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Calculation based on the logKow measurements for single carbon chain lengths
- Adequacy of study:
- supporting study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.5
- Temp.:
- 25 °C
- pH:
- >= 5 - <= 6
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2010-01-25 -> 2010-01-31
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Determination run according to standardized method, no GLP compliance.
- Reason / purpose for cross-reference:
- assessment report
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- Deviations:
- yes
- Remarks:
- Some adjustments have been done. The concentration of the surfactant is below the CMC value, pH has been adjusted to 5-6
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Remarks:
- slow stir
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 0.7
- Temp.:
- 25 °C
- pH:
- >= 5 - <= 6
- Conclusions:
- The partition coefficient of the test substance is 0.7 (log Pow).
- Executive summary:
The partition coefficient of the test substance is 0.7 (log Pow).
Referenceopen allclose all
The logKow for the registration substance was calculated using the values in the table below:
| C-chain length | measured logKow (see report Paulson, 2010, nr. 10AC0090) | Typical concentration in the registration substance (%) |
| C12 | 1.26 | 73 |
| C14 | 2.16 | 23 |
| C16 | 2.6 | 2 |
The measurements were made at a pH of 5-6 and at an initial concentration of 507 µg/L in the water phase (about 10% of the critical micelle
concentration (CMC) in water) and at 25°C. The partition coefficient value was determined from the weighed average of the concentrations of the main components in the product listed in the table below.
Substance |
Log POW |
Bis (2 -hydroxyethyl) coco alkylamine |
0.7 |
with the following results of its components: |
|
Bis (2-hydroxyethyl) octyl amine |
-1.38 |
Bis (2-hydroxyethyl) decyl amine |
0.2 |
Bis (2-hydroxyethyl) dodecyl amine |
1.26 |
Bis (2-hydroxyethyl) tetradecyl amine |
2.16 |
| Bis (2-hydroxyethyl) hexadecyl amine | > 2.6 |
| Bis (2-hydroxyethyl) octadecylene amine | >2.1 |
| Bis (2-hydroxyethyl) octadecyl amine | >2.1 |
Description of key information
The partition coefficient is 1.5 (log Pow).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.5
- at the temperature of:
- 25 °C
Additional information
For the estimation of the partition coefficient read across has been made from a substance with approximately the same carbon chain distribution but containg small amounts of both shorter and longer carbon chain lengths. Since there are measured values for each single carcon chain length the final value was adjusted by recalculating it by using the typical chain lentgh distribution of the registration substance.
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