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EC number: 276-481-8 | CAS number: 72214-18-7
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:
- 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Principles of method if other than guideline:
- None
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: FAT 41001/H TE
Appearance: Blue powder - Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- -3.88
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not known
- Details on results:
- None
- Conclusions:
- The partition coefficient n-octanol/water of the test item at 20 °C, from the individual solubilities in water and n-octanol, was determined to: log Pow = -3.88
- Executive summary:
The purpose of the study was determination of the partition coefficient n-octanol / water of the test item FAT 41001/H according to the European Commission Regulation (EC) No.440/2008, A.8. partition coefficient n-octanol / water and OECD 107 and OECD 117, partition coefficient n-octanol/water were used to performed the experiment.
The partition coefficent n-octanol/water of the test item at 20 °C, from the individual solubilities in water and n-octanol, was determined to: log Pow = -3.88
Reference
Individual Results
Preliminary Visual Estimation of the n-octanol solubility
Different amounts of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.
Amount of test item in mg |
Volume in mL |
Total volume in ml |
Stirring time |
Appearance of mixture |
100 |
10 |
10 |
60 min |
undissolved |
|
50 |
50 |
60 min |
undissolved |
10 |
10 |
10 |
50 min |
undissolved |
|
50 |
50 |
95 min |
undissolved |
|
100 |
100 |
95 min |
undissolved |
According to this preliminary test the solubility of the test item in n-octanol is below 100 mg/L (without correction of the purity).
Determination of the solubility in the n-Octanol phase: Flask Methods
Experiment |
A |
B |
C |
D (blank) |
Amount of test item (mg) |
100 |
100 |
100 |
-- |
Stirring time at 30°C (h) |
24 |
48 |
72 |
72 |
Aliquot of the flasks (ml) |
1 |
1 |
1 |
1 |
End volume (ml) |
3 |
3 |
3 |
3 |
Measured concentration (µg/ml) |
15.3 |
13.6 |
15.4 |
-- |
Solubility(mg/l) |
45.8 |
40.7 |
46.2 |
-- |
The values of the measured concentrations of the test item in n-octanol is 44.2 mg/L.
Description of key information
The purpose of the study was determination of the partition coefficient n-octanol / water of the test item FAT 41001/H according to the European Commission Regulation (EC) No.440/2008, A.8. partition coefficient n-octanol / water and OECD 107 and OECD 117, partition coefficient n-octanol/water were used to perform the experiment. The partition coefficient n-octanol/water of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to: log Pow = -3.88
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.88
- at the temperature of:
- 20 °C
Additional information
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