4,11-diamino-2-(3-methoxypropyl)-1H-naphth[2,3-f]isoindol-1,3,5,10(2H)-tetrone

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

Deviations:

no

Principles of method if other than guideline:

Guidelines followed

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

None

Radiolabelling:

no

Test temperature:

30 ºC

Details on study design: HPLC method:

The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used.

Performance of the Test
Preparation of sample solution
Test item (0.0094 g) was diluted to 100 ml with acetonitrile to give a concentration of 94 mg/L.


Preparation of dead time solution
The dead time was determined by measuring the retention time of formamide (purity* 99.94%, 786 mg/L solution in 55:45 acetonitrile: purified water).
* value quoted by supplier

Determination of retention time
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:

HPLC System: Agilent Technologies 1100 series, incorporating autosampler and workstation
Column: Waters XSelect HSS Cyano 5µm (150 x 4.6 mm id)
Column temperature: 30 ºC
Mobile phase: 55:45 acetonitrile: purified water
pH of mobile phase: 6.6
Flow-rate: 1.0 mL/min
Injection volume: 10 µl
UV detector wavelength: dead time and reference standards: 210 nm
sample: 590 nm

Calculation
Construction of calibration curve
A calibration curve was constructed from the retention time data of the dead time and reference standard solutions. The capacity factors k' for the reference standards were calculated.

Adsorption coefficient of sample
The capacity factor was calculated and the log10Koc value determined with reference to the calibration curve.

Capacity factor
The capacity factor was determined using the following equation.

k’ = (tr – t0) / t0

where:
k' = capacity factor
tr = retention time (min)
t0 = dead time (min)

A correlation of log k' versus log Koc of the calibration standards was plotted using linear regression.


Adsorption Coefficient
The adsorption coefficient was calculated using the following equation.

Log10 Koc = (Log10 k’ – A) / B

where:
Koc = adsorption coefficient
k' = capacity factor
A = intercept of the calibration curve
B = slope of the calibration curve

Analytical monitoring:

yes

Details on sampling:

None

Details on matrix:

None

Details on test conditions:

None

Computational methods:

None

Key result

Type:

log Koc

Value:

3.88

Temp.:

30 °C

Type:

Koc

Value:

7 540

Temp.:

30 °C

Details on results (HPLC method):

Adsorption coefficient of sample
Overall log10 Koc: 3.88
Adsorption coefficient: 7.54*10E+03

Adsorption and desorption constants:

None

Recovery of test material:

None

Concentration of test substance at end of adsorption equilibration period:

None

Concentration of test substance at end of desorption equilibration period:

None

Details on results (Batch equilibrium method):

None

Statistics:

None

Calibration

The retention times of the dead time and the retention times, capacity factors (k') and log₁₀K_ocvalues for the reference standards are shown in the two following tables:

 

Dead Time	Retention Time (mins)		Mean Retention Time (mins)
	Injection 1	Injection 2
Formamide	1.735	1.735	1.735

 

Standard	Retention Time (mins)		Mean Retention Time (mins)	Capacity Factor (k')	Log10k'	Log10Koc
	Injection 1	Injection 2
Acetanilide	2.323	2.323	2.323	0.339	-0.470	1.25
Phenol	2.405	2.405	2.405	0.387	-0.413	1.32
Atrazine	2.857	2.857	2.857	0.647	-0.189	1.81
Aniline	2.604	2.595	2.600	0.499	-0.303	2.07
Linuron	3.513	3.503	3.508	1.02	9.41 x 10^-3	2.59
Endosulfan-Diol	3.533	3.533	3.533	1.04	0.243	3.31
Fenthion	4.767	4.772	4.770	1.75	1.55 x 10^-2	3.02
a-Endosulfan	5.943	5.938	5.940	2.42	0.385	4.09
Phenanthrene	4.845	4.849	4.847	1.79	0.254	4.09
DDT	8.571	8.576	8.574	3.94	0.596	5.63

Adsorption coefficient of sample

The retention times, capacity factor and log₁₀K_ocvalue determined for the sample are shown in the following table:

Injection	Retention Time (mins)	Capacity Factor (k')	Log10k'	Log10Koc	Mean Log10Koc	Adsorption Coefficient
1	4.82	1.78	0.250	3.88	3.88	7.54 x 10^3
2	4.82	1.78	0.250	3.88

 

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient (Koc) of the test item has been determined to be 7.54 E+03, log10 Koc 3.88.

Executive summary:

Adsorption coefficient of FAT 36152/M was determined according to HPLC screening method compatible with OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)) and EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC)). The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used. Based on the findings of the study, the adsorption coefficient (Koc) of the test item has was determined to be 7.54*10E+03, log10 Koc 3.88.

Description of key information

The adsorption coefficient (Koc) of the test item has been determined to be 7.54*10E+03, log10 Koc 3.88. 

Key value for chemical safety assessment

Koc at 20 °C:

7 540

Additional information

Adsorption coefficient of FAT 36152/M was determined according to HPLC screening method compatible with OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)) and EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC)). The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used. Based on the findings of the study, the adsorption coefficient (Koc) of the test item has was determined to be 7.54*10E+03, log10 Koc 3.88.

[LogKoc: 3.88]