1,4-bis(mesitylamino)anthraquinone

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: well performed study according to OECD guideline

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

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:

not specified

GLP compliance:

not specified

Type of method:

HPLC estimation method

Media:

soil/sewage sludge

Test material

Test material information

Constituent 1

Reference substance name:

1,4-bis(mesitylamino)anthraquinone

EC Number:

204-155-7

EC Name:

1,4-bis(mesitylamino)anthraquinone

Cas Number:

116-75-6

Molecular formula:

C32H30N2O2

IUPAC Name:

1,4-bis(mesitylamino)anthraquinone

Radiolabelling:

no

Study design

HPLC method

Details on study design: HPLC method:

Procedure:
The distribution coefficient was estimated by the HPLC method using isocratic elution. The HPLC system was calibrated for log k' versus log Koc using reference substances of known log Koc.
Test substance solution: 14,8 mg in 10 ml methanol, filtered through 0,45 μm PTFE membrane filter
Calibration solutions: approx. 5-10 μg/ml in acetonitrile (see 4.3)
Dead time marker: sodium nitrate.

Instrumental conditions:
HPLC instrument: Agilent 1100
Injection volume: 2 μl
Detector: UV, 254 nm (test substance) and 220 nm (calibration)
Column: μBondapak CN, 150 mm x 3,1 mm, 10 μm
Mobile phase: water/methanol = 45/55 (v/v)
Flow rate: 1 ml/min
Column temperature: 40 °C

Results and discussion

Adsorption coefficient

Type:

log Koc

Value:

7.7

Temp.:

40 °C

Results: HPLC method

Details on results (HPLC method):

Reference substances for calibration
Compound Calibr. Purity [%] log Koc Conc.
solution No. value [μg/ml]

Sodium nitrate 1 > 99 % --- 10
Acetanilide 2 99,9 1,25 11
Phenol 1 99,8 1,32 10
Methylbenzoate 2 98,7 1,80 9
Naphthalene 2 99,4 2,75 2
1,2,3-Trichlorobenzene 1 99,8 3,16 10
Phenanthrene 2 >97 4,09 5
4,4'-DDT solution 1 100 5,63 5
(100 ng/μl)


Analytical data
Substance log Koc Inj. 1 Inj. 2 k' log k' mass on
value tR [min] tR [min] column [ng]

Sodium nitrate --- 0,770 0,771 --- --- 20
Acetanilide 1,25 1,734 1,733 1,25 0,10 22
Phenol 1,32 1,742 1,742 1,26 0,10 21
Methylbenzoate 1,80 1,895 1,895 1,46 0,16 17
Naphthalene 2,75 2,402 2,401 2,12 0,33 4
1,2,3-Trichlorobenzene 3,16 2,479 2,480 2,22 0,35 19
Phenanthrene 4,09 3,237 3,236 3,20 0,51 11
4,4'-DDT 5,63 4,952 4,954 5,43 0,73 10
Test substance --- 8,996 8,886 10,61 1,03 *


Estimated log Koc of test substance:

log Koc = (log k'-b)/a = 1.03 -(-0.0926)/0.1461 = 7.7
a and b were taken from the calibration curve of the substances with known Log Koc


The calculated log Koc value of the test substance is outside the calibrated range. 4,4'-DDT is
the reference substance with highest log Koc value available. Therefore only an extrapolated
value for the test substance can be obtained.

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The calculated extrapolated value for the Log Koc of the test item is 7.7

Executive summary:

The estimation of the adsorption coefficient (Koc) on soil and sewage sludge was performed using high performance liquid chromatography (HPLC) according to OECD guideline 121. Sodium nitrate, Acetanilide, Phenol, Methylbenzoate, Naphthalene, 1,2,3-Trichlorobenzene, Phenanthrene, 4,4'-DDT with known LogKoc were used as standard to establish a calibration curve with the retentions times. The retention time was compared with the standards. The calculated log Koc value of the test substance is outside the calibrated range. 4,4'-DDT is the reference substance with highest log Koc value available. Therefore only an extrapolated value for the test substance can be obtained.