N,N'-(2-chloro-1,4-phenylene)bis(3-oxobutaneamide)

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2003-09-23 to 2003-11-10

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2003

Report date:

2003

Materials and methods

Test guideline

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:

not specified

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

443-010-4

EC Name:

-

Cas Number:

53641-10-4

Molecular formula:

C14H15ClN2O4

IUPAC Name:

N-[3-chloro-4-(3-oxobutanamido)phenyl]-3-oxobutanamide

Radiolabelling:

no

Study design

Test temperature:

30 °C

HPLC method

Details on study design: HPLC method:

System Waters
- Pump 616, Waters
- Photodiode Array Detector 996, Waters
- Millenium Software Vers. 3.20

Column: stainless steel, 250 mm, 4.6 mm ID LUNA 5p CN, Phenomenex
Mobile phase: 55 % (v/v) Methanol Chromasolv 45 % (v/v) Water
Flow: 1.0 ml/min
Temperature: 30 °C
Detection wavelength: maxplot (200 — 700 nm)
Injection volume: 10 pl

Batch equilibrium or other method

Analytical monitoring:

not required

Results and discussion

Adsorption coefficient

Key result

Type:

log Koc

Value:

1.5 dimensionless

Temp.:

30 °C

Results: HPLC method

Details on results (HPLC method):

Retention times:

1. injection: 3.762
2. injection: 3.781
3. injection: 3.811
Mean: 3.785
log k' = 0.0061

To calculate the result, the equation of the calibration curve had to be transformed as follows:
Y = a•x + b x = (Y - b) / a

with:
a = 0.208644
b = -0.308751

where:
a = slope of the calibration curve
b = ordinate intercept
x = log K00
Y = log k'

log Koc (CI-DAEP) = (0.0061 + 0.308751) / 0.208644 = 1.5

Applicant's summary and conclusion

Validity criteria fulfilled:

not specified

Executive summary:

The adsorption coefficient (log Koc) of Cl-DAEP was estimated according to EC-Guideline 2001/59/EC - C.19, HPLC-method. Therefore, 10 calibration substances were injected into a HPLC-system under the same analytical conditions as the test substance.

A calibration curve was created by linear regression using the measured retention times (log k'-values) and the known log Koc-values of the calibration substances which are listed in the guideline. The measured log k'-value of the test substance was within the calibrated k'-value-range of the calibration substances.

From the resulted calibration curve and its equation the log Koc of the test substance had been interpolated. The estimated adsorption coefficient (log Koc) of the test substance CI-DAEP was log Koc = 1.5