Registration Dossier
Registration Dossier
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EC number: 204-673-3 | CAS number: 124-04-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Principles of method if other than guideline:
- The amount of adipic acid in water- and octanol-phase was measured titrimetrically.
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- titration method
- Type:
- log Pow
- Partition coefficient:
- 0.093
- Temp.:
- 25 °C
- pH:
- 3.3
- Details on results:
- The Pow was calculated bei Pow = c(octanol) / c(water), where c is the concentration of adipic acid in the solvent.
The pH of the aqueous phase was 3.3. Since in the examined mixture a protolytic equilibrium is established, the distribution coefficient Pow is strongly pH-dependent. A Pow determination in which the mixture was adjusted to pH 7 with 0.1 mol / L NaOH, gives log Pow <-3. - Executive summary:
The measured log Kow of adipic acid is 0.093 (BASF, 1988).
Reference
Measurement results:
| c (Octanol) g/L | c (Water) g/L | Pow | Log Pow |
| 2.53 | 2.05 | 1.23 | 0.091 |
| 5.07 | 4.07 | 1.25 | 0.095 |
| mean value | 1.24 | 0.093 |
The log Kow is dependent on the pH, based upon the pKa values of adipic acid. At pH 7 (NaOH addition) the log Kow was < -3.
Description of key information
The measured log Kow of adipic acid is 0.093 (BASF, 1988).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.09
- at the temperature of:
- 25 °C
Additional information
The logarithmic octanol-water partition coefficient (log Kow) for adipic acid was predicted using the QSAR calculation of the Estimation Program Interface (EPI) Suite v 4.11. The log Kow was estimated to be 0.23. Thus the predicted and measured value both show a low logKow for the substance.
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