Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,2,4-trimethylcyclohexyl)amino]anthracene-2-sulphonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

March from 07th to 12th, 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

2004

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

< 1

Temp.:

20 °C

Remarks on result:

other: HPLC method

Details on results:

MAIN TEST
Since the retention time of the test item was lower than the retention time of Acetanilide and lower than the retention time of formamide, it was outside the calibration. Thus, the partition coefficient can only be estimated, according to Regulation EC No. 440/2008 method A.8. and OECD Test Guideline 117, as lower than 1.0.

PRELIMINARY TEST
With the water solubility between 1.1 and 7.8 g/l, determined in the preliminary test of water solubility study, and the solubility in octanol of 1.7 to 10.3 g/l, determined from the preliminary test, the partition coefficient Pow can be estimated to be between 0.2 and 9.4 (log Pow: -0.6 to 1).

Conclusions:

log Pow < 1 at 20 °C

Executive summary:

The partition coefficient of the test item was determined using HPLC method, in accordante with the method and procedures outlined into the OECD guideline 117. The concentration in the aqueous and octanol phases was determined during preliminary test and, on the basis of the results, the value of the log Pow was estimated to be between -0.6 and 1.

For the main test, the dead time marker formamide was injected and measured twice before the reference items and the test item. The following reference substances were used: acetanilide (log Pow: 1), 4 -methyl benzyl alcohol (log Pow: 1.6), cinnamyl alcohol (log Pow: 1.9), allyl phenyl ether (log Pow: 2.9), diphenyl ether (log Pow: 4.2), fluoranthene (log Pow: 5.1). After that two series of measurements of the reference and test items were performed, wherein the reference substances and the test item were injected separately into the mobile phase.

Since the retention time of the test item was lower than the retention time of acetanilide and lower than the retention time of formamide, it was outside the calibration. Thus, the partition coefficient can only be estimated, according to OECD guideline 117, as lower than 1.0.

Conclusion

log Pow < 1 at 20 °C

Description of key information

log Pow < 1 at 20 °C

Additional information

OECD 117 - HPLC method