N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)benzenesulphonamide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2008

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:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 09979EB5
- Expiration date of the lot/batch: March 14,2011

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature at about 20 °C

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

3.71

Temp.:

23 °C

Remarks on result:

other: pH not specified

RESULTS AND DISCUSSION

During the preliminary test, the log Pow of FAT 36034/G was estimated to be > 2.0. Thus having the free choice between both methods, the HPLC-method was chosen to conduct the main test. Six common standards, which have known log Pow values in the range of 2.1 to 5.1, were used as reference standards during the main test.

The FAT 36034/G solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected six times. The log Pow was calculated using a regression curve (log k' vs. log Pow) and was found to be 3.71.

The chromatography of the test item showed one sharp main peak with a well-defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study. Based on the chromatographic data, FAT 36034/G was considered to be stable during the test procedure. The retention times of the individual measurements of the reference items, the test item and for the determination of the dead time. Using the corresponding log Pow values of the reference items from the OECD guideline, the regression coefficients were calculated. The log Pow value of the test item was calculated from the calibration equation.

Conclusions:

The n-octanol / water partition coefficient (log Pow ) of FAT 36034/G was calculated and found 3.71.

Executive summary:

The partition coefficient n-octanol/water of FAT 36034/G TE was conducted following OECD 107 guideline and EU method A.8. Six common standards, which have known log Pow values were used as reference standards. For the determination of the dead time a thiourea solution was used. From the regression curve (log k' vs. log Pow) the n-octanol / water partition coefficient (log Pow) of FAT 36034/G was calculated and found to be 3.71

Description of key information

The partition coefficient n-octanol/water ( log PoW) of FAT 36034/G at 23 °C was determined to be 3.71.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.71

at the temperature of:

23 °C

Additional information

A study (2008) conducted with partition coefficient n-octanol/water of FAT 36034/G according to OECD 107 guideline and EU method A.8. From the regression curve (log k' vs. log Pow) the n-octanol / water partition coefficient (log Pow) of FAT 36034/G was calculated and found to be 3.71. Whereas another study performed (2015) by using flask method reported the n-octanol / water partition coefficient (log Pow ) =2.31