1-Propanone, 2-hydroxy-2-methyl-, 1-(4-C10-13-alkylphenyl) derivs.

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study, no deviations.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Test guideline

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

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Test material

Test material information

Constituent 1

Reference substance name:

1-Propanone, 2-hydroxy-2-methyl-, 1-(4-C10-13-alkylphenyl) derivs.

Cas Number:

1001416-18-7

Molecular formula:

Not applicable - UVCB

IUPAC Name:

1-Propanone, 2-hydroxy-2-methyl-, 1-(4-C10-13-alkylphenyl) derivs.

Radiolabelling:

no

Study design

Test temperature:

35 ° C

HPLC method

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Alliance Separation Module 2695
- Type, material and dimension of analytical (guard) column: Hypersil BDS-CN, 150 mm x 4.6 mmi.d., dp = 5 µm
- Detection system: Dual lambda absorbence Detector 2487 (Waters)
- UV DETECTION: 210 nm

MOBILE PHASES
- Type: 55/45 (v/v) methanol/water
- Experiments with additives carried out on separate columns: yes / no
- pH:
- Solutes for dissolving test and reference substances:

FLOW: 1 ml/min

INJECTION VOLUME: 10 µl

DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column

REFERENCE SUBSTANCES
- Identity:
Acetanilide
Atrazine
Monuron
2,5-Dichloroaniline
Benzoic acid phenylester
Fenthion
Phenanthrene
2,4-DDT

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column : 1µg
- Quantity of reference substances: ca. 0.1 µg

REPETITIONS
- Number of determinations: 2

EVALUATION
- Calculation of capacity factors k': k' = (tr - t0)/t0; tr = retention time, t0 = mean column dead time
- Determination of the log Koc value: The calibration curve of the log k' of the reference substances as a function of log KOC was used for the determination of the KOC. The equation of the regression line was: log k' = 0.283 x log KOC - 1.036

Results and discussion

Adsorption coefficient

Adsorption coefficient 1

Type:

log Koc

Value:

>= 4.31 - <= 7.04

Temp.:

35 °C

Adsorption coefficient 2

Type:

Koc

Value:

>= 21 000 - <= 11 000 000

Results: HPLC method

Details on results (HPLC method):

- Retention times of reference substances used for calibration:
Acetanilide 2.256 min
Atrazine 2.482 min
Monuron 2.566 min
2,5-Dichloroaniline 2.950 min
Benzoic acid phenylester 3.263 min
Fenthion 4.455 min
Phenanthrene 4.452 min
2,4-DDT 7.355 min
- Details of fitted regression line (log k' vs. log Koc): log k' = 0.283 x log KOC - 1.036
- Average retention data for test substance: retention time (start): 4.917 min; retention time (end): 19.550 min

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The test substance is a mixture of isomerized homologues (according to the alkyl range C10-13 of the hydrocarbon chain with different positions of bonding to the benzene part). According to this the KOC and log KOC value is given as a range based on the start and end of the test substance peak.
The KOC and log KOC value of the test substance is: KOC = 2.1 X 10 exp4 - 1.1 x 10exp7; log KOC = 4.31 - 7.04

Executive summary:

The adsorption coefficient (KOC) of the substance was determined according to OECD Guideline 121 (Estimation of the adsorption coefficient (KOC) on soil and on sewage sludge using HPLC, January 22, 2001).

The test substance is a mixture of isomerized homologues (according to the alkyl range C10-13 of the hydrocarbon chain with different positions of bonding to the benzene part). According to this the KOC and log KOC value is given as a range based on the start and end of the test substance peak. The KOC and log KOC value of the test substance is: KOC = 2.1 X 10 exp4 - 1.1 x 10exp7; log KOC = 4.31 - 7.04.