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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
equivalent or similar to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Name: 9-Octadecenoic acid (9Z)-, propyl ester
Product Description: Propyl oleate
CAS No.: 111-59-1
Physical state: pale yellow to yellow liquid at 20 °C
Batch No.: 37584
Re-certification date of batch: 08 March 2018
Purity: > 99 % (fatty acid propyl esters, max water content 0.3 % (w/w))
Free Fatty Acid, % Oleic: 0.1
Color, Gardner: 3
Iodine Value, cg I2/g 75
Cloud Point, degrees C 0
Saponification Number, mg KOH/g 177
Moisture, % 0,07
Stability: stable under test conditions
Storage condition of test material: Room temperature, protected from light
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 6.2 - <= 8
Temp.:
40 °C
Remarks on result:
other: calculated by extrapolation

Results

Calibration

By analysis of six different reference items via HPLC the corresponding retention times can be determined. By relating the logarithm of the determined capacity factors (log k) to the corresponding log POW values (known from literature), a calibration curve was set up.

Calibration equation: y = 3.2684x + 4.3508 (with x = log k and y = log POW)

Table: Partition Coefficients of the test item

 Peak  Average Area [%]  Average t(R)  log Pow
Peak 1  1.36  10.81  6.19
 Peak 2  0.94  11.55  6.31
 Peak 3  0.80  15.59  6.82
 Peak 4  2.80  17.36  7.00
 Peak 5  5.41  17.98  7.06
 Peak 6  10.02  20.59  7.28
 Peak 7  1.47  21.80  7.37
 Peak 8  1.31  22.84  7.44
Peak 9  68.6  29.07  7.82
Peak 10  6.23  31.50  7.94
 Peak 11  1.10  33.07  8.02

The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation given in chapter 7.1, the following partition coefficient can be reported:

log POW = 6.2 – 8.0

Conclusions:
The partition coefficient of the test item Propyl oleate was determined according to OECD Guideline 117 (HPLC method). The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation, the following partition coefficient can be reported: log POW = 6.2 – 8.0.
Executive summary:

The partition coefficient of the test item Propyl oleate was determined according to OECD Guideline 117 (HPLC method). The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation, the following partition coefficient can be reported: log POW = 6.2 – 8.0. The retention times of the reference items ranging from 2.7 to 6.2 minutes and the test item elutes from 10.8 minutes to 33.1 minutes.

Description of key information

The partition coefficient of the test item Propyl oleate was determined according to OECD Guideline 117 (HPLC method). The test item elutes in a range from 10.8 min to 33 min. By applying the calibration equation, the following partition coefficient can be reported: log POW = 6.2 – 8.0.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.2
at the temperature of:
40 °C

Additional information