2-benzyl-2-dimethylamino-4'-morpholinobutyrophenone

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:

1995-12-12, 1995-12-21

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

equivalent or similar 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:

yes

Remarks:

The determinations were done only once. Chromatograms are missing.

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

soil

Radiolabelling:

no

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Gynkotek (Munich, BRD)
- Type: HPLC-pump (M 480); Autosampler (GINA M 160); Degasser (DG-1300); Thermostat (MGW Lauda RMS from MGW, Lauda, BRD); Column thermostat (Cosytherm from Labor Technik Barkey, Bielefeld, BRD); Chromatographic data system (Gynkosoft, Version 5.21)
- Type, material and dimension of analytical (guard) column: 5 pm Cyanopropyl Zorbax CN (VDS Optilab, Berlin, BRD); 250 mm X 4.6 mm
- Detection system: Diode array detector UVD 320 (Gynkotek, Munich, BRD)
- Temperature: 40 °C

MOBILE PHASES
- Type: Methanol: 0.01 mol/L citrate buffer pH 6.0 (75 : 25 / v : v) including 0.5 mmol/L triethylamine as a modifier
- Solutes for dissolving test and reference substances: Methanol

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (formamide)

REFERENCE SUBSTANCES
- Identity: 1,2,3-trichlorobenzene; Fenthion; Acenaphthene; Phenanthrene; Hexachlorobenzene; Pyrene; 4,4'-DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: Table 1
- Quantity of reference substances: Table 1
- Intervals of calibration: Daily

REPETITIONS
- Number of determinations: 1

EVALUATION
Evaluation of data
The retention times (tR) of the reference substances or the test substance, respectively, the column dead time (t0) were used for calculating the corresponding capacity factors k':

k' = (tR - t0) / t0

tR = retention time of the test substance or reference substance, respectively
t0 = column dead time (retention time of formamide)

In addition, the corresponding logarithms log k' were calculated and using the log Koc-values for the 7 reference a calibration plot of log k' versus log Koc was constructed.

Log Koc of the test substance was calculated from the fitted regression line (log k' versus log Koc).

Analytical monitoring:

no

Type:

log Koc

Value:

4.69

Details on results (HPLC method):

- Retention times of reference substances used for calibration: Table 2
- Details of fitted regression line (log k' vs. log Koc): log Koc = 5.49 * log k' + 3.64; coefficient of correlation = 0.971

Table 2. Retention data of test substance and reference substances

Substance	Retention time (min)	Capacity factor
		(k')	(log k')
1,2,3-trichlorobenzene	5.03	0.76	-0.12
Fenthion	5.83	1.04	0.02
Acenaphthene	5.48	0.92	-0.04
Phenanthrene	6.44	1.25	0.10
Hexachlorobenzene	7.03	1.46	0.16
Pyrene	7.77	1.72	0.24
4,4'-DDT	9.15	2.20	0.34
Test substance	7.30	1.55	0.19

Validity criteria fulfilled:

yes

Conclusions:

Adsorption to the solid soil phase is expected.

Executive summary:

In this guideline (OECD 121) study conducted with GLP certification, the test material (EC 404-363-3) was determined to have a logKoc value of 4.69

Description of key information

 Study conducted to recognised training guidelines  with GLP certification

Key value for chemical safety assessment

Koc at 20 °C:

48 978

Additional information

A GLP guideline study according to OECD 106 has been conducted to determine the adsorption-coefficient of the test item (Fraunhofer-lnstitut fur Umweltchemie und Okotoxikologie 1995). The HPLC-screening method gave a logKoc of 4.69. Therefore, adsorption to solid soil phase is expected.

[LogKoc: 4.69]