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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
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))
Principles of method if other than guideline:
Adsorption coefficient of test chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was determined by using HPLC method.
GLP compliance:
not specified
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
- Name of test material: Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate- Molecular formula: C23H26N3.C2H3O2- Molecular weight: 403.5231g/mole- Smiles : CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C- Inchl: 1S/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1- Substance type: Organic- Physical state: Greenish lustourous liquid
Radiolabelling:
no
Test temperature:
25°C
Details on study design: HPLC method:
HPLC Procedure:The solutions of the test substance and reference substances were prepared in solvent mentioned in 4.3. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(table 3).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.Operating Conditions:HPLC Model No. : Agilent Technologies,1260 InfinityFlow Rate : 1.0ml/minColumn : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μmMobile phase : Acetonitrile: water (55:45)Temperature : 25°CDetector : Diode Array Detector @210nmInjector : AutosamplerInjector volume : 10μlData Acquisition software : ChemStationOpen lab Control Panel
Analytical monitoring:
not specified
Key result
Sample No.:
#1
Type:
log Koc
Value:
2.169 dimensionless
Temp.:
25 °C
Remarks on result:
other: other details not specified
Details on results (HPLC method):
The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 2.169 at 25°C
Transformation products:
not specified

Reference substance

Log Koc

Rt1

Rt2

Rt3

Mean Rt ±S.D.

k

Log k

Urea

NA

0.887

0.887

0.888

0.887

0

0

4-methylaniline(p-Tolouidine)

1.9

1.755

1.748

NA

1.7515

0.9746

-0.0112

N-methylaniline

2.28

2.303

2.294

NA

2.2985

1.5913

0.2018

Aniline

2.07

1.513

1.495

NA

1.504

0.6956

-0.1576

Xylene

2.58

6.241

6.232

NA

6.2365

6.031

0.7804

Ethylbenzene

2.649

6.359

6.355

NA

6.357

6.1669

0.7901

Toluene

2.369

4.378

4.382

NA

4.38

3.938

0.5953

Naphthalene

2.75

6.127

6.218

NA

6.1725

5.9589

0.7752

Test substance

K

Logk

Log Pow by Calibration Graph

Mean of Log KOC ±S.D

Rt1

2.118

1.388

0.142

2.169

 

2.169 ± 0.001

 

Rt2

2.123

1.393

0.144

2.170

Validity criteria fulfilled:
yes
Conclusions:
The Adsorption Coefficient of test substance Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.169 dimensionless at 25°C. Thus based on the result it is concluded that the test substance (Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were methylaniline(p-Tolouidine), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75.The Log Koc value was determined to be 2.169 dimensionless at 25°C.

Thus based on the result it is concluded that the test substance Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Description of key information

The Adsorption Coefficient of test substance Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 2.169 dimensionless at 25°C. Thus based on the result it is concluded that the test substance (Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

Key value for chemical safety assessment

Koc at 20 °C:
148

Additional information

The adsorption coefficient Koc in soil and in sewage sludge of test chemical Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 . The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were methylaniline(p-Tolouidine), N-methylaniline, Aniline, Xylene, Ethylbenzene, Toluene, Naphthalene having Koc value ranging from 1.9 to 2.75.The Log Koc value was determined to be 2.169 dimensionless at 25°C.

Thus based on the result it is concluded that the test substance Reaction mass of 3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl- & acetate has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.

[LogKoc: 2.169]