Benzenamine, 4-fluoro-N-(1-methylethyl)-

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 Oct - 18 Nov 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2002

Report date:

2002

Materials and methods

Test guideline

Test guideline 1

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))

Test guideline 2

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))

GLP compliance:

yes

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

448-100-7

EC Name:

-

Cas Number:

70441-63-3

Molecular formula:

C9H12FN

IUPAC Name:

4-fluoro-N-(propan-2-yl)aniline

Radiolabelling:

no

Study design

Test temperature:

40 °C column temperature

HPLC method

Details on study design: HPLC method:

- Two experiments were carried out in triplicate measurements with different pHs of the mobile phase: Exp I = pH 6; Exp II = pH 8
EQUIPMENT
- Apparatus: HPLC
- Type, material and dimension of analytical (guard) column: Exp I: LiChrospher 100 CN, 5 µm particle diameter, column lenght = 250 mm, inner diameter = 4 mm; Exp II: MN Nucleosil 5 CN, 5 µm particle diameter, column lenght = 250 mm, inner diameter = 4 mm
- Detection system: UV, 220 nm

MOBILE PHASES Exp I
- Type: 500 ml acetonitrile : 85 ml buffer solution pH 6 : 415 ml water
- Experiments with additives carried out on separate columns: no
- pH: 6.3

MOBILE PHASES Exp II
- Type: 300 ml acetonitrile : 85 ml buffer solution pH 8 : 615 ml water
- Experiments with additives carried out on separate columns: no
- pH: 8

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column
- Determined with sodium nitrate, dead time for Exp I = 1.653 min; dead time for Exp II = 1.314 min

REFERENCE SUBSTANCES
- Identity: 3,5-dinitrobenzamide, methylbenzoate, naphthalene, 1,2,3-trichlorobenzene, phenanthrene, diclofop-methyl

REPETITIONS
- Number of determinations: 3

EVALUATION
- Calculation of capacity factors k': k' = tR - t0 / t0 with tR = retention time of compound and t0 = dead time
- Determination of the log Koc value: determined with the following equation of a linear regression: log k' = a + b log Koc

Batch equilibrium or other method

Analytical monitoring:

yes

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

log Koc

Value:

2.8 dimensionless

pH:

6

Temp.:

40 °C

Adsorption coefficient 2

Type:

log Koc

Value:

2.6 dimensionless

pH:

8

Temp.:

40 °C

Results: HPLC method

Details on results (HPLC method):

- Retention times of reference substances used for calibration: See any other information on results
- Details of fitted regression line (log k' vs. log Koc): In Exp I at pH 6 the linear regression gave a= -0.27489, b= 0.14617, r= 0.87758 with a and b presenting regression factors and r presenting the correlation factor
In Exp II at a pH of 8, the linear regression gave a= -0.18164, b= 0.19235, r= 0.92455 with a and b presenting regression factors and r presenting the correlation factor

Any other information on results incl. tables

Table 1. Results for Exp I at pH 6

Calibration substance	Retention time [tr] = min  *	Capacity factor k‘ *	Log k‘ *	Log Koc
3,5 -dinitrobenzamide	3.036	0.836	-0.078	2.31
methylbenzoate	3.476	1.102	0.042	1.80
naphthalene	4.251	1.571	0.196	2.75
1,2,3 -trichlorobenzene	4.429	1.679	0.225	3.16
phenanthrene	4.953	1.996	0.300	4.09
diclofop-methyl	5.291	2.200	0.342	4.20
FI-Anilin	3.935	1.380	0.140	2.84

* Mean value of 3 single measurements

 

Table 2. Results for Exp II at pH 8

Calibration substance	Retention time [tr] = min *	Capacity factor k‘ *	Log k‘ *	Log Koc
3,5 -dinitrobenzamide	3.036	1.330	0.124	2.31
methylbenzoate	3.573	1.719	0.235	1.80
naphthalene	4.621	2.517	0.401	2.75
1,2,3 -trichlorobenzene	4.964	2.778	0.444	3.16
phenanthrene	6.248	3.755	0.575	4.09
diclofop-methyl	7.229	4.501	0.653	4.20
FI-Anilin	4.026	2.064	0.315	2.58

* Mean value of 3 single measurements

Applicant's summary and conclusion

Validity criteria fulfilled:

not specified