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EC number: 946-342-2 | CAS number: -
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:
- 14 June 2016 - 17 June 2016
- 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)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.9
- Temp.:
- 25 °C
- pH:
- >= 5 - <= 9
- Remarks on result:
- other: The pH was not reported, however it is assumed to be within the range relevant for the natural environment, i.e. in the pH range of 5.0 to 9, according to OECD guideline 117.
- Details on results:
- Based on chromatographic data, the test item was considered to be stable during the test procedure. The linearity of the analytical method was confirmed in the log Pow-range from 0.5 to 2.9 (regression coefficient, r = 0.9652). No difference in log units between the three measurements of the test item solution was determined, therefore the study is considered to be valid. The pH was not reported, however it is assumed to be within the range relevant for the natural environment, i.e. in the pH range of 5.0 to 9, according to OECD guideline 117.
- Conclusions:
- The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 1.9 using the HPLC method.
- Executive summary:
The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 1.9 using the HPLC method. The study is considered reliable without restriction (Klimisch 1) as it was performed according to guidelines OECD 117, EU A.8 and OPPTS 830.7570, and was GLP-compliant.
Reference
Table 1. Capacity Factor k' and log Pow of the Reference Items
| Item | Number of replicates | Retention time # (min) | Capacity factor & | log k' & | log Pow + |
| Sodium nitrate $ | 3 | 2.613 | n.a. | n.a. | n.a. |
| 4 -Acetylpyridine | 3 | 7.733 | 2.0 | 0.292 | 0.5 |
| Acetanilide | 3 | 7.733 | 2.0 | 0.292 | 1.0 |
| Benzonitrile | 3 | 10.853 | 3.2 | 0.499 | 1.6 |
| Acetophenone | 3 | 13.262 | 4.1 | 0.610 | 1.7 |
| Nitrobenzene | 3 | 16.596 | 5.4 | 0.728 | 1.9 |
| Methyl benzoate | 3 | 23.325 | 7.9 | 0.899 | 2.1 |
| Atrazine | 3 | 28.125 | 9.8 | 0.990 | 2.6 |
| Allyl phenyl ether | 3 | 48.613 | 17.6 | 1.246 | 2.9 |
# Mean value of three measurements
& Values represent rounded results calculated from the exact raw data
+ log Pow values given in OECD Guideline No. 117
$ Sodium nitrate used for determination of dead time
Table 2. Capacity Factor k' and log Pow of Test Item
| Replicate | Retention time (min) | Capacity factor &@ | log k' & | log Pow ^ |
| 1 | 17.120 | 5.55 | 0.74 | 1.9 |
| 2 | 17.147 | 5.56 | 0.75 | 1.9 |
| 3 | 17.120 | 5.55 | 0.74 | 1.9 |
| Mean | 17.129 | 5.55 | 0.74 | 1.9 |
& Values represent rounded results calculated from the exact raw data
@ k' = (tr - t0)/t0, where tr is the retention time of the substance concerned and t0 is the retention time of the unretarded component
^ Calculated from regression data
Description of key information
The logarithmic partition coefficient (n-octanol/water) of the test item was determined to be 1.9 using the HPLC method.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.9
- at the temperature of:
- 25 °C
Additional information
The study is considered reliable without restriction (Klimisch 1) as it was performed according to guidelines OECD 117, EU A.8 and OPPTS 830.7570, and was GLP-compliant (2016). The logarithmic partition coefficient (n-octanol/water) of the test item was determined using the HPLC method.
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