2-(1,3-dioxoisoindolin-2-yl)ethane-1-sulfonamide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-08-06 to 2018-11-02

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

2004

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: Council Regulation (EC) No. 266/2016, Method A.24, ”Partition Coefficient

Version / remarks:

2016

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

1

Temp.:

22.2 °C

Remarks on result:

other: No pH value was measured for the mobile phase, because it is neutral. Additionally, no significant influence of the pH value of the mobile phase is expected for the functional groups of the test item.

Details on results:

The column temperature was measured by a data logger with an interval of 2 minutes. The mean temperature, based on the temperature values obtained during the experimental phase, was within the range of 20 25 °C ± 1 °C during the course of the study.
The signal-to-noise ratio for the void time marker, reference items and the test item was > 3. The HPLC void time (t0) was determined by threefold injection of a solution of 5 mg/L NaNO3. The correlation coefficient r for the first and second calibration was > 0.9. Two individual log Pow values were derived under consideration of the first and second calibration, and a mean value was calculated from these individual log Pow values.

Retention Times, Capacity Factors and Partition Coefficients of the Test Item

2‑Phthalimido ethanesulfonamide (TA-3)		tR [min]	k	logk	logPOW
					1^stCalibration	2^ndCalibration
		7.910	8.79	0.944	1.013 ± 0.042 0.895 to 1.13 (95 % CI)	0.993 ± 0.044 0.872 to 1.11 (95 % CI)
		7.989	8.88	0.949
	Mean	7.950	8.83	0.946	1.00

Validity criteria:

•          A signal-to-noise ratio > 3 was provided for signals of concern

•          The value of logP_OW derived from repeated measurements made under identical conditions and using the same set of reference items fell within a range of ± 0.1 log units.

•          The correlation coefficient r for the calibration curves was > 0.9.

 

The column temperature during the measurement did not vary more than± 1 °C

Conclusions:

Two individual log Pow values were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values. The partition coefficient log Pow of 2 Phthalimidoethanesulfonamide (TA-3) was determined at 22.2 °C to be 1.00.

Description of key information

Two individual log Pow values were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values. The partition coefficient log Pow of 2-Phthalimidoethanesulfonamide (TA-3) was determined at 22.2 °C to be 1.00.

Key value for chemical safety assessment

Log Kow (Log Pow):

1

at the temperature of:

22.2 °C