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EC number: 271-678-5 | CAS number: 68603-87-2
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:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Principles of method if other than guideline:
- no data
- GLP compliance:
- no
- Type of method:
- other: shake flaske method
- Partition coefficient type:
- octanol-water
- Analytical method:
- not specified
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.162
- Temp.:
- 25 °C
- Remarks on result:
- other: value for adipic acid
- Type:
- log Pow
- Partition coefficient:
- -0.188
- Temp.:
- 25 °C
- Remarks on result:
- other: value for glutaric acid
- Type:
- log Pow
- Partition coefficient:
- -0.55
- Temp.:
- 25 °C
- Remarks on result:
- other: vaule for succinic acid
- Type:
- log Pow
- Partition coefficient:
- 0.081
- Temp.:
- 25 °C
- Remarks on result:
- other: single substance measurement adipic acid
- Type:
- log Pow
- Partition coefficient:
- -0.256
- Temp.:
- 25 °C
- Remarks on result:
- other: single substance measurement on glutaric acid
- Type:
- log Pow
- Partition coefficient:
- -0.575
- Temp.:
- 25 °C
- Remarks on result:
- other: single substance measurement on succinic acid
- Conclusions:
- The log Kow of carboxylic acids, di-, C4 -6 is in the range of -0.55 - 0.162.
- Executive summary:
In a study conducted according to a shake flask method, the log Kow's from adipic acid (logKow 0.162), glutaric acid (logKow -0.188) and succinic acid (logKow -0.55) were determined.
The log Kow of carboxylic acids, di-, C4 -6 is in the range of -0.55 (succinic acid) - 0.162 (adipic acid).
Measurements on the single substances (succinic acid, glutaric acid, adipic acid) were also conducted during the study and showed ranges from -0.565 to -0.58 (succinic acid), -0.255 to -0.259 (glutaric acid) and 0.0545 to 0.108 (adipic acid, respectively). These ranges of measurements are in good agreement with the measurements conducted for the mixture of dicarboxylic acids, thus further validating the results.
Reference
pH values are not reported.
Measurement results from mixture:
| c (Octanol) g/L | c (Water) g/L | log Pow | ||||||
| succinic a. | glutaric a. | adipic a. | succinic a. | glutaric a. | adipic a. | succinic a. | glutaric a. | adipic a. |
| 0.11 | 0.35 | 0.34 | 0.43 | 0.55 | 0.23 | -0.59 | -0.196 | 0.170 |
| 0.26 | 0.69 | 0.68 | 0.92 | 1.03 | 0.46 | -0.55 | -0.174 | 0.170 |
| 0.34 | 0.93 | 0.91 | 1.10 | 1.45 | 0.65 | -0.51 | -0.193 | 0.146 |
| mean value | -0.55 | -0.188 | 0.162 | |||||
c=concentration of single component in mixture
log Pow of each compound is the mean value of 3 single determinations
Measurement results from single determinations:
| c (Octanol) g/L | c (Water) g/L | log Pow | ||||||
| succinic a. | glutaric a. | adipic a. | succinic a. | glutaric a. | adipic a. | succinic a. | glutaric a. | adipic a. |
| 0.457 | 0.72 | 0.97 | 1.68 | 1.42 | 1.13 | -0.565 | -0.259 | 0.0545 |
| 0.87 | 1.42 | 0.48 | 3.31 | 2.56 | 1.28 | -0.58 | -0.256 | 0.108 |
| 1.35 | 2.16 | - | 5.13 | 3.89 | - | -0.578 | -0.255 | - |
| mean value | -0.575 | -0.256 | 0.081 | |||||
c=concentration of single component
log Pow of each compound is the mean value of 3 respectively 2 single determinations
Description of key information
In a study conducted according to a shake flask method, the log Kow's from adipic acid (logKow 0.162), glutaric acid (logKow -0.188) and succinic acid (logKow -0.55) were determined.
The log Kow of carboxylic acids, di-, C4 -6 is in the range of -0.55 (succinic acid) - 0.162 (adipic acid).
Measurements on the single substances (succinic acid, glutaric acid, adipic acid) were also conducted during the study and showed ranges from -0.565 to -0.58 (succinic acid), -0.255 to -0.259 (glutaric acid) and 0.0545 to 0.108 (adipic acid, respectively). These ranges of measurements are in good agreement with the measurements conducted for the mixture of dicarboxylic acids, thus further validating the results.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.162
- at the temperature of:
- 25 °C
Additional information
The determination of the logKow's was performed for the single compounds, and for the carboxylic acids, di-, C4-6 in mixture. The shake flask method is recommended for pure substances only. However, the obtained values from mixture and single determinations have a good correlation. Therefore the highest value of adipic acid (logKow 0.162) received from the mixture was considered as valid.
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