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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
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:
To determine Adsorption coefficient (KOC) on soil and on sewage sludge of the Tetrabutylammonium iodide (CAS No. 311-28-4) using HPLC.
GLP compliance:
no
Type of method:
HPLC estimation method
Media:
soil/sewage sludge
Specific details on test material used for the study:
- IUPAC name: N,N,N-tributylbutan-1-aminium iodide
- Name of test material (as cited in study report): Tetrabutylammonium iodide
- Molecular formula (if other than submission substance): C16H36N.I
- Molecular weight (if other than submission substance): 369.367 g/mol
- Smiles notation (if other than submission substance): [N+](CCCC)(CCCC)(CCCC)CCCC.[IH-]
- InChI: 1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material:A151551607
- Expiration date of the lot/batch:2021-01-06
- Purity test date:99.57%

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:Ambient Temp (23 to 27 °C)
- Stability under test conditions:Stable in recommended storage conditions

Radiolabelling:
not specified
Test temperature:
25°C
Details on study design: HPLC method:
The solutions of the test substance and reference substances were prepared in the mobile phase. 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(Annex - 2).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 Infinity
Flow Rate : 1.0 mL/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : Acetonitrile: water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl
Data Acquisition software : ChemStationOpen lab Control Panel
Details on test conditions:
A test item solution was prepared by accurately weighing 5 mg of test item and diluted with mobile phase up to 10 ml. Thus, the test solution concentration was 500 mg/l. The pH of test substance was 6.28.
Key result
Type:
log Koc
Value:
0.974 dimensionless
pH:
6.28
Temp.:
25 °C
Remarks on result:
other: reported as 0.9735 ± 0.0743
Transformation products:
not specified

Test substance

Tetrabutylammonium iodide

K

Log k

Log Koc

by Generalized Calibration

Graph

Mean of Log Koc ± S.D.

tR1

0.829

-0.0654

-1.1845

1.0259

0.9735 ± 0.0743

tR2

0.841

-0.0519

-1.2852

0.9209

Validity criteria fulfilled:
yes
Conclusions:
The Adsorption Coefficient of test substance Tetrabutylammonium iodide (CAS No. 311-28-4)was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 0.9735 ± 0.0743 at 25°C.
Executive summary:

The adsorption coefficient Koc in soil and in sewage sludge Tetrabutylammonium iodide(CAS No.311-28-4) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were having Koc value ranging from 1.3 to 4.09. The Log Koc value was found to be 0.9735 ± 0.0743 at 25°C.

Description of key information

The Adsorption Coefficient of test substance Tetrabutylammonium iodide (CAS No. 311-28-4)was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was found to be 0.9735 ± 0.0743 at 25°C.

Key value for chemical safety assessment

Koc at 20 °C:
9.408

Additional information

The adsorption coefficient Koc in soil and in sewage sludge Tetrabutylammonium iodide(CAS No.311-28-4) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were having Koc value ranging from 1.3 to 4.09. The Log Koc value was found to be 0.9735 ± 0.0743 at 25°C.

[LogKoc: 0.9735]