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EC number: 701-281-9 | 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:
- from 2009-11-16 to 2010-04-21
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- 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:
- 1.67
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- Results of the experimental determination of the partition coefficient with the HPLC method, at pH 7.0:
The temperature during the procedure was 35 °C.
The actual pH value of the mobile phase during the test was 7.0.
The equation of the linear regression for the reference substances was:
log (capacity factor) = 0.6277 x log (Pow) – 0.3522.
The results of the individual determinations of the decadic logarithm of the partition coefficient (log Pow) of the test substance were 1.67 and 1.67. The mean decadic logarithm of the partition coefficient (log Pow) of the test substance is 1.67.
The values of log P derived from the individual measurements fall within a range of ± 0.1 log units. - Conclusions:
- The mean decadic logarithm of the partition coefficient (log Pow) of the test substance is 1.67.
- Executive summary:
The partition coefficient was determined using the HPLC method at pH 7.0.
The temperature during the procedure was 35 °C. The actual pH value of the mobile phase during the test was 7.0.
The equation of the linear regression for the reference substances was: log (capacity factor) = 0.6277 x log (Pow) – 0.3522.
The results of the individual determinations of the decadic logarithm of the partition coefficient (log Pow) of the test substance were 1.67 and 1.67.
The mean decadic logarithm of the partition coefficient (log Pow) of the test substance is 1.67.
The values of log P derived from the individual measurements fall within a range of ± 0.1 log units.
Reference
Reference and test substance purity and concentration
substances |
purity |
structural formula |
CAS |
concentration in |
formamide |
|
|
|
|
|
|
|
|
|
butanone |
|
|
|
|
acetanilide |
|
|
|
|
acetophenone |
|
|
|
|
methyl benzoate |
|
|
|
|
chlorobenzene |
|
|
|
|
1,4 dichlorobenzene |
|
|
|
|
|
|
|
|
|
"3-hydroxy-2-(hydroxymethyl)-2-methylpropionaldehyde" |
|
51.3* |
||
* Due to the low UV absorption a higher concentration was used.
Results for reference and test substances
substance |
retention time |
capacity factor k' |
mean |
log POW* |
||
repl. 1 |
repl. 2 |
repl. 1 |
repl. 2 |
|||
formamide (t0) |
0.48 |
0.48 |
-- |
-- |
-- |
-- |
butanone |
0.83 |
0.83 |
0.73 |
0.73 |
-0.14 |
0.3 |
acetanilide |
1.35 |
1.35 |
1.81 |
1.81 |
0.26 |
1.0 |
acetophenone |
2.59 |
2.58 |
4.40 |
4.38 |
0.64 |
1.7 |
methyl benzoate |
5.66 |
5.59 |
10.79 |
10.65 |
1.03 |
2.1 |
chorobenzene |
12.73 |
12.58 |
25.52 |
25.21 |
1.40 |
2.8 |
1,4 dichorobenzene |
29.79 |
29.36 |
61.06 |
60.17 |
1.78 |
3.4 |
test substance |
2.87 |
2.87 |
4.98 |
4.98 |
4.98 |
1.7 |
* The log POW-values of the reference compounds according to the guidelines.
Description of key information
Partition Coefficient (OECD 117, EU Method A.8.): The mean decadic logarithm of the partition coefficient (log Pow) is 1.67 (pH 7).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.67
- at the temperature of:
- 35 °C
Additional information
The partition coefficient was determined using the HPLC method at pH 7.0.
The temperature during the procedure was 35 °C.
The equation of the linear regression for the reference substances was: log (capacity factor) = 0.6277 x log (Pow) – 0.3522.
The results of the individual determinations of the decadic logarithm of the partition coefficient (log Pow) of the test substance were 1.67 and 1.67.
The mean decadic logarithm of the partition coefficient (log Pow) of the test substance is 1.67.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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