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Partition coefficient

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partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
according to
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
according to
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
Type of method:
HPLC method
Partition coefficient type:
Analytical method:
high-performance liquid chromatography
Key result
log Pow
Partition coefficient:
< 0.3
25 °C
ca. 7
The log POW of L-Tyrosine, 3,5-dinitro- (wet product) is stated as < 0.3.
Executive summary:

The study was performed using a HPLC with a C18 column. Seven reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POWare correlated. The reference items were chosen based on the results of the pre-test.

One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank methanol / water 65 % / 35 % (v/v) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.

For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.

A calibration function (log k versus log POW, linear fit) was determined using the literature values for POWof the reference items and the retention times in the six determinations.

The chromatogram of the test item L-Tyrosine, 3,5-dinitro- (wet product) gave one peak with a retention time of 1.152 min (mean). The log POWof the peak was not calculable, because the retention time lay below the retention time of thiourea (1.453 min mean).

Therefore, the corresponding log POW of L-Tyrosine, 3,5-dinitro- (wet product) is stated as < 0.3.

Description of key information

The log POW of L-Tyrosine, 3,5-dinitro- (wet product) is stated as < 0.3.

Key value for chemical safety assessment

Log Kow (Log Pow):
at the temperature of:
25 °C

Additional information