Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental Starting Date: 01 December, 2015; Experimental Completion Date: 08 December, 2015. Study Completion Date: 22 December, 2015.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
None
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
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)
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 FAT 20202/H TE
- Lot. 111
- Appearance: Dark red powder
Analytical method:
photometric method
Key result
Type:
log Pow
Partition coefficient:
0.32
Temp.:
20 °C
Remarks on result:
other: pH is not available
Type:
Pow
Partition coefficient:
2.09
Temp.:
20 °C
Remarks on result:
other: pH is not available
Details on results:
None

Calibration:

 Cal Pt.  Standard ng/mL  Area
 1  0.725  0.0166
 2  1.45  0.0316
 3  2.9  0.0642
 4  5.8  0.1334
 5  14.5  0.3299
 6  29.0

 0.6660

Preliminary Visual Estimation of the n-octanol solubility

An amount of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.

Table 2: Appearance of the test mixtures

Amount of test item in mg

Volume in ml

Total volume in ml

Stirring time

Appearance of mixture

10

1

1

60 min

undissolved

10

1

2

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 experiment (cs ~ 5 g/l) and in the preliminary test (water solubility: cs = 10.9 μg/l) the partition coefficient was calculated as log Pow -0.34.

Determination of the solubility in the n-Octanol phase: Flask Methods

 

Experiment

A

B

C

D (blank)

Amount of test item (mg)

1000

1000

1000

--

Stirring time at 30 °C (h)

24

48

72

72

Measured concentration (mg/l)

9.7

4.9

5.1

--

Dilution

0.01ml/10ml

0.01ml/10ml

0.01ml/10ml

--

n-Octanol solubility (g/l)

9.7

4.9

5.1

--

Average experiments A to C: 6.6 g/l

 Standard  Measured concentration (mg/l)  % Recovery
 Standard 2 (c=1.45 mg/l)  1.5  103.4
 Standard 3 (c=2.9 mg/l)  2.9  100
 Standard 5 (c=14.5 mg/l)  14.7  101.4

The recovery ranged from 100 % to 103.4 % indicates a sufficient accuracy of the analytical method.

Shake Flask method

A stock solution of the test item was prepared in water (pre-saturated with n-octanol): 35.9 mg / 100 ml.

Three different experiments (double determination) were started with following ratios of octanol / water: A (1:1); B (2:1); C (1:2).

After intensely shaking and subsequent phase separation by centrifugation, the total concentration of the test substance was determined by UV/VIS-spectroscopy (591 nm) at 20 °C in each phase!

Determination of the partition coefficient

 Experiement Ratio water/octanol  A Ratio 1:1  B Ratio 2:1  C Ratio 1:2

 Stock solution in mg/ml

 0.359

 0.359

 0.359

 Stock solution (water) in ml

 8

 4

 Octanol (water-sat.) in ml

 4

 4

 8

 Dilution (water phase)

1ml/10ml 

 1ml/10ml

1ml/4ml 

 Dilution (octanol phase)

0.2ml/5ml 

 0.2ml/5ml

0.2ml/4ml 

 Measured concentration

water phase (mg/l)

 13.7

 22.4

17.9 

 Measured concentration

n-octanol phase (mg/l)

 13.0

 15.6

7.7 

 Water solubility (g/l)  0.137 0.224   0.072
 n-octanol solubility (g/l) 0.326   0.389 0.154 
 Pow  2.37 1.74   2.15
 Log POW  0.37 0.24   0.33
Conclusions:
The n-octanol/water partition coefficient (log Pow) of the test item at 20 °C was determined to be 0.32.
Executive summary:

The n-octanol/water partition coefficient of the test item FAT 20202/H was evaluated in a study conducted according to the EU Method A.8, OECD Guideline 107 and OECD Guideline 117. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficient (log Pow) of FAT 20202/H at 20 °C was determined to be 0.32 (Pow = 2.09).

Description of key information

The n-octanol/water partition coefficient of the test item FAT 20202/H was evaluated in a study conducted according to the EU Method A.8, OECD Guideline 107 and OECD Guideline 117. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficient (log Pow) of FAT 20202/H at 20 °C was determined to be 0.32 (Pow = 2.09).

Key value for chemical safety assessment

Log Kow (Log Pow):
0.32
at the temperature of:
20 °C

Additional information