Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 251-257-2 | CAS number: 32846-21-2
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:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: FAT 20003/K TE Lot. AT-0026132600
Appearance: Red powder - Type:
- Pow
- Partition coefficient:
- 11.98
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Type:
- log Pow
- Partition coefficient:
- 1.07
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not specified
- Conclusions:
- The partition coefficient n-octanol/water of the test item at 20 °C was determined to be 1.07 (log Pow).
- Executive summary:
The partition coefficient n-octanol/water of FAT 20003/K TE was determined in a study conducted according to EU Method A.8 and OECD Guidelines 107 and 117. Shake flask method was used for the main study. Based on the individual solubility of test item in n-octanol and water, the partition coefficient of the test item at 20 °C was determined to be Pow = 11.98 (Log Pow = 1.07).
Reference
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 | 1 | 1 | 60 min | undissolved |
| 100 | 5 | 5 | 60 min | undissolved |
| 100 | 10 | 10 | 60 min | undissolved |
| 100 | 20 | 20 | 60 min | dissolved |
According to this preliminary test the solubility of the test item in n-octanol is about 5 g/l (without correction of the purity).
Calculation of the partition coefficient log Pow from the preliminary tests.
The partition coefficient Pow may be estimated from the saturation concentrations in n-octanol and water by the following equation:
Pow = cs octanol /cs water
s= saturation
With the data obtained from the experiments in chapter 3.5.1 (cs = 50 mg/l) and in the preliminary test (water solubility: cs = 1.2 g/l) the partition coefficient was calculated as log POW -1.4.
Determination of the solubility in the n-Octanol phase: Flask Method.
Solubility of the test item-experiment A to D:
| Experiment | A | B | C | D (Blank) |
| Amount of test item in mg | 1000 | 1000 | 1000 | - |
| Stirring time at 30°C (h) | 24 | 48 | 72 | 72 |
| Aliquot of the flask (ml)/End volume | 0.025/10 | 0.025/10 | 0.025/10 | 0.025/10 |
| Measured concentration (μg/ml) | 16.6 | 17.2 | 16.8 | - |
| Solubility (mg/l) | 6640 |
6680 |
6720 |
- |
The values of the measured concentrations of the test item in n-octanol is 6750 mg/l.
Concentrations of the standards for recheck:
Standard |
Measured concentration (μg/ml) |
% Recovery |
Sample C + 18.6 μg test item |
30.5 |
105.3 |
The recovery of 105.3 % indicates a sufficient accuracy of the analytical method.
SHAKE FLASK METHOD:
A stock solution of the test item was prepared in octanol (pre-saturated with water):
17.4 mg/100 ml. Three different experiments (double determination) was started with following ratios of octanol/water: A (1:1); B (1:2); C (2:1).
After phase separation by centrifugation, the total concentration of the test substance was determined by VIS-spectroscopy (255 nm) at 20 °C in each phase.
Determination of the partition coefficient
Experiment Ratio octanol/water |
A Ratio 1:1 |
B Ratio 1:2 |
C Ratio 2:1 |
Stock solution in mg/100 ml |
17.4 |
17.4 |
17.4 |
Stock solution in ml |
4 |
4 |
8 |
Flask concentration in μg |
696 |
1392 |
696 |
Water volume in ml |
4 |
8 |
4 |
Measured concentration n-octanol phase (mg/l) |
155.1 |
281.9 |
85.7 |
Measured concentration water phase (mg/l) |
12.79 |
19.46 |
9.19 |
Pow |
12.12 |
14.49 |
9.33 |
Log Pow |
1.08 |
1.16 |
0.97 |
Description of key information
The partition coefficient n-octanol/water of FAT 20003/K TE was determined in a study conducted according to EU Method A.8 and OECD Guidelines 107 and 117. Shake flask method was used for the main study. Based on the individual solubility of test item in n-octanol and water, the partition coefficient of the test item at 20 °C was determined to be Pow= 11.98 (Log Pow= 1.07).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.07
- at the temperature of:
- 20 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
