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EC number: 207-938-1 | CAS number: 502-44-3
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:
- 2009-07-26
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- batch No.of test material: WNI 5862 26/5/09
- Expiration date of the lot/batch:
- Purity test date: 99.8 %
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.32
- Temp.:
- 20 °C
- pH:
- 4.8
- Remarks on result:
- other: S.D. 0.011
- Conclusions:
- The partition coefficient for the test material at 20 °C was log Pow 0.32 (S.D. 0.011)
- Executive summary:
The partition coefficient was measured for the test material following the OECD 117 guideline. The study was reliable with restriction (Klimish 2). Results indicated that at 20 °C, log Pow was 0.32 (S.D. 0.011).
Reference
Table 1. LogP ow of reference substances
Substance |
log Pow |
tR |
Ethanol |
-0.30 |
2.39 |
Methylethylketone |
0.29 |
2.78 |
Benzyl alcohol |
1.05 |
3.50 |
2-ethylhexanol |
2.82 |
21.62 |
1-octanol |
3.07 |
29.55 |
Cumene |
3.66 |
55.14 |
A linear regression coefficient was calculated using these references and the retention times of their peaks.
intercept |
1.612 |
slope |
1.352 |
corr. coeff. |
0.999 |
The Log Powof the tested substance was calculated from this. Duplicate determinations were made.
Results:
|
tR |
log Pow |
Inj 1 |
2.70 |
0.312 |
Inj 2 |
2.71 |
0.327 |
Description of key information
The partition coefficient was measured for the test material following the OECD 117 guideline. The study was reliable with restrictions (Klimish 2). Results indicated that at 20 °C, log Pow was 0.32 (SD = 0.011).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.32
- at the temperature of:
- 20 °C
Additional information
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