2-(chloromethyl)-4-methylquinazoline

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:

2007-01-16 to 2007-02-06

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))

Version / remarks:

2001

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))

Version / remarks:

2001

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Test temperature:

25°C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Merck-Hitachi LaChrom HPLC system
- Type: HPLC
- Type, material and dimension of analytical (guard) column: Column: LiChrospher 100 CN 5µ 250*4 mm
- Detection system: UV at 230 nm

MOBILE PHASES
- Type: Methanol:Water = 55:45
- Experiments with additives carried out on separate columns: no
- Solutes for dissolving test and reference substances: Methanol

DETERMINATION OF DEAD TIME
- Method: For determination of the dead time sodium nitrate solution was injected at least in duplicate

REFERENCE SUBSTANCES
- Identity: Acetanilide CAS 103-84-4; Methylbenzoate CAS 93-58-3; Linuron CAS 330-55-2; Fenthion CAS 55-38-9; Pyrazophos CAS 13457-18-6; Phenanthrene CAS 85-01-8

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10 µl injection volume
- Quantity of reference substances: 10 µl injection volume

REPETITIONS
- Number of determinations: two replicates for reference substances; three replicates for test item

EVALUATION
- Calculation of capacity factors k': k' = (tr - t0o / to
- Determination of the log Koc value: A calibration plot of log k' versus log Koc was prepared. The regression coefficients were determined by linear regression calculation using the least squares method. Log Koc value of the test item was calculated using these regression coefficients and the capacity factor of the test item: log k' = m * log Koc + b

- Preparation of the test solutions: The reference substances were dissolved in methanol. The concentration of the stock solutions was about 1 mg/ml. These stock solutions were hundredfold diluted with the mobile phase resulting in 10 µg/ml solutions. The test item was dissolved in methanol. The concentration of this solution was about 1 mg/ml. It was diluted with mobile phase to 10 µg/ml.

- Performance of the Test: Three series of the above reference solutions and the test item solution were measured alternately. Reference solutions were injected with two replicates and three replicate injections were carried out from the test item solution. For the determination of t0 (t0 = retention time of the unretarded component) sodium nitrate solution was injected three times. The retention times were determined.

Type:

Koc

Value:

33.3 dimensionless

Key result

Type:

log Koc

Value:

1.52 dimensionless

Remarks on result:

other: not specified

Details on results (HPLC method):

- Retention times of reference substances used for calibration: 3.96 min Acetanilide; 4.52 min Methylbenzoate; 6.07 min Linuron; 7.88 min Fenthion; 8.94 min Pyrazophos; 10.17 min Phenanthrene. 1.47 min Sodium nitrate (for determination of dead time)
- Details of fitted regression line (log k' vs. log Koc): y = 0.1978x - 0.0227; R2 = 0.9975
- Average retention data for test substance: 4.25 min

Transformation products:

not specified

The adsorption coefficient, Koc, was determined based on the calibration curve prepared using six reference substances. The log k' data of the reference substances were plotted against their log Koc values. The equation of the curve fitted to the calibration points is as follows: log k' = 0.1978 * log Koc - 0.0227 (R² = 0.997)

The capacity factor k' and log Koc for CD 605 were calculated based on the calibration data.

Measured and calculated data of the test item

Chemical name	Log Koc	Retention time (min)	Log k‘	Log Koc	Accuracy log unit	Repeatability ¿logKoc, log unit
CD 605	-	4.25	0.279	1.52	-	0.01

Given values are the mean of three replicate injections from three series

Validity criteria fulfilled:

yes

Conclusions:

In the course of this study the adsorption coefficient (Koc) of the test itme was estimated, using high performance liquid chromatography.
The estimated log Koc is 1.52. The estimated Koc of the test item is 33.3.

Description of key information

Adsorption/desorption: Low potential for adsorption

Key value for chemical safety assessment

Koc at 20 °C:

33.3

Additional information

An adsorption coefficient of log K_OC 1.52 was determined in a reliable study conducted according to OECD guideline 121 and in compliance with GLP. The result is considered to be reliable.

[LogKoc: 1.52]