N-[4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl]acetamide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test result performed using standard OECD test guideline

Qualifier:

according to guideline

Guideline:

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

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.151

Temp.:

25 °C

pH:

6.6

Remarks on result:

other: The logKow of test chemical was determined to be 3.151±0.002

Details on results:

The Partition coefficient (Pow) of the test chemical was determined to be 3.151±0.002 at 25°C.

Table: Reference substance result.

Reference Substance	Tr1	Tr2	Mean S.D	K	Log K	Log Pow
Formamide	1.054	1.054	1.054±0.000	NA	NA	NA
Phenol	1.306	1.306	1.306±0.000	0.239	-0.621	1.5
Acetophenone	1.541	1.541	1.541±0.000	0.462	-0.335	2.1
Benzene	1.956	1.957	1.957±0.001	0.856	-0.067	2.7
Benzophenone	2.287	2.284	2.286±0.002	1.168	0.068	3
Thymol	2.084	2.079	2.082±0.004	0.975	-0.011	2.9
Toluene	2.363	2.364	2.364±0.001	1.242	0.094	3.1
Ethylbenzene	2.892	2.893	2.893±0.001	1.744	0.242	3.4

 

 

Table: Result of test chemical.

Test substance		K	LogK	Log Pow by Generalized Calibration Graph	Mean of logPow ± S.D
Tr1	2.428	1.304	0.115	3.153	3.151±0.002
Tr2	2.424	1.300	0.114	3.150

 

This table represents the mean log Pow and SD of test chemical.

Conclusions:

The partition coefficient(n-octanol/water) of test chemical was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.151±0.002 at 25°C.

Executive summary:

The partition coefficient n-octanol/water of test chemical at 25 °C was determined following the OECD Guideline 117 (Partition Coefficient (n-octanol / water) using the reverse phase-high performance liquid chromatography (RP-HPLC) method. The sample of test chemical was prepared by dissolving 4 mg in acetonitrile to prepare 400 mg/l and pH of the resulting solution was evaluated to be 6.6. The analysis was performed at recommended conditions of temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Selected reference substances were also prepared in acetonitrile with concentration of 400 mg/L. All samples were analysed using HPLC. After analyzing on test conditions, calibration curve of selected reference substances was prepared to obtain logKow value. Reference substance chosen for the study were Acetophenone , Benzene , Benzophenone , Ethylbenzene, Phenol , Thymol , Toluene having a Pow ranging from 1.5 to 3.4. The partition coefficient (Log Pow) value of test chemical was determined to be 3.151±0.002 at 25°C.

Description of key information

Based on the available data from study report, the partition coefficient n-octanol/water of test chemical at 25 °C was determined following the OECD Guideline 117 (Partition Coefficient (n-octanol / water) using the reverse phase-high performance liquid chromatography (RP-HPLC) method. The sample of test chemical was prepared by dissolving 4 mg in acetonitrile to prepare 400 mg/l and pH of the resulting solution was evaluated to be 6.6. The analysis was performed at recommended conditions of temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Selected reference substances were also prepared in acetonitrile with concentration of 400 mg/L. All samples were analysed using HPLC. After analyzing on test conditions, calibration curve of selected reference substances was prepared to obtain logKow value. Reference substance chosen for the study were Acetophenone , Benzene , Benzophenone , Ethylbenzene, Phenol , Thymol , Toluene having a Pow ranging from 1.5 to 3.4. The partition coefficient (Log Pow) value of test chemical was determined to be 3.151±0.002 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.151

at the temperature of:

25 °C

Additional information

Based on the available data from study report, the partition coefficient n-octanol/water of test chemical at 25 °C was determined following the OECD Guideline 117 (Partition Coefficient (n-octanol / water) using the reverse phase-high performance liquid chromatography (RP-HPLC) method. The sample of test chemical was prepared by dissolving 4 mg in acetonitrile to prepare 400 mg/l and pH of the resulting solution was evaluated to be 6.6. The analysis was performed at recommended conditions of temperature 25°C (solvent: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Selected reference substances were also prepared in acetonitrile with concentration of 400 mg/L. All samples were analysed using HPLC. After analyzing on test conditions, calibration curve of selected reference substances was prepared to obtain logKow value. Reference substance chosen for the study were Acetophenone , Benzene , Benzophenone , Ethylbenzene, Phenol , Thymol , Toluene having a Pow ranging from 1.5 to 3.4. The partition coefficient (Log Pow) value of test chemical was determined to be 3.151±0.002 at 25°C.