4,11-diamino-2-[3-(2-methoxyethoxy)propyl]-1H-naphth[2,3-f]isoindole-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:

None

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Specific details on test material used for the study:

Details on properties of test surrogate or analogue material (migrated information):
Not applicable

Radiolabelling:

no

Test temperature:

30 ºC

Details on study design: HPLC method:

Performance of the Test:
Preparation of sample solution:
Test item (0.0111 g) was diluted to 100 ml with acetonitrile to give a concentration of 111 mg/L.

Preparation of dead time solution:
The dead time was determined by measuring the retention time of formamide (purity* 99.94 %, 700 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: 7.20
Flowrate: 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 using the equation below.

Adsorption coefficient of sample:
The capacity factor was calculated using the equation below and the log10Koc value determined as below 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 equation below.

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:

not specified

Details on sampling:

None

Details on matrix:

None

Details on test conditions:

None

Computational methods:

None

Key result

Type:

log Koc

Value:

3.74

Temp.:

30 °C

Details on results (HPLC method):

Adsorption coefficient of sample
Overall log10 Koc: 3.74
Adsorption coefficient: 5.43E+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

Transformation products:

not specified

Details on results (Batch equilibrium method):

None

Statistics:

No data

None

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient (Koc) of FAT 36152/N has been determined to be 5.43E+03, log10 Koc 3.74. These values indicate that the test item will be immobile in the environment.

Executive summary:

A key study was performed to determine the adsorption of FAT 36152/N according to 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 adsorption coefficient (Koc) of the test item has been determined to be 5.43 E+03, log10 Koc 3.74. These values indicate that the test item will be immobile in the environment.

Description of key information

The adsorption coefficient (Koc) of FAT 36152/N has been determined to be 5.43E+03, log10 Koc 3.74

Key value for chemical safety assessment

Koc at 20 °C:

5 430

Additional information

A study was performed to determine the adsorption of FAT 36152/N according to 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 adsorption coefficient (Koc) of the test item has been determined to be 5.43 E+03, log10 Koc 3.74. These values indicate that the test item will be immobile in the environment. [LogKoc: 3.74]