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Environmental fate & pathways

Adsorption / desorption

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Administrative data

Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Test phase 2013-04-19 to 2013-04-26
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Meets the criteria as reliable without restriction according to Klimisch et al (1997).

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

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
Type of method:
HPLC estimation method
Media:
other: HPLC column

Test material

Constituent 1
Chemical structure
Reference substance name:
lithium 3-((3,4-dicyanophenyl)thio)propane-1-sulfonate
EC Number:
700-787-7
Cas Number:
769953-18-6
Molecular formula:
C11H9N2O3S2Li
IUPAC Name:
lithium 3-((3,4-dicyanophenyl)thio)propane-1-sulfonate
Test material form:
solid: particulate/powder

Study design

Test temperature:
20.00 - 21.25 C

HPLC method

Details on study design: HPLC method:
EQUIPMENT
- Apparatus: A HPLC sysytem comprising of HPLC pump, Injection valve fitted with 100ul loop, 25cm x 4.6 mm id column packed with a 5um CN phase, Photo diode array detector with the scan range from 210 to 400nm, Chromotography data system.

MOBILE PHASES
- Type:55% methanol and 45% deionised water pumped through at a flow rate of1.5ml/min.
- pH: Unadjusted pH6, also adjusted to pH2 and pH 10.


DETERMINATION OF DEAD TIME
- Method: by inert substance, sodium nitrate, which is not retained by the column

REFERENCE SUBSTANCES
- Identity: Acetanilide, Atrazine, Isoproturon, Linuron, Naphthalene, 1,2,3-Trichlorobenzene, Fenthion, Phenanthrene, ppDDT

EVALUATION
- Calculation of capacity factors k': Retention time of test material - column dead time/ column dead time
- Calculation of retention times:All the reference substances were injected in duplicate, as a minimum, and the mean retention times were determined. Each concentration of the test material was also injected in duplicate and the mean retention time determined for each concentration.
- Determination of the log Koc value: Determined from the regression line of experimentally derived k' measurements and the literature Koc values of the the reference substances

Batch equilibrium or other method

Analytical monitoring:
no

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Value:
3.24
Remarks on result:
other: 5.0 mg/L unadjusted (pH 6)
Type:
log Koc
Value:
2.53
Remarks on result:
other: 5.0 mg/L pH2
Type:
log Koc
Value:
1.99
Remarks on result:
other: 5.0 mg/L pH10 (peak 1)
Type:
log Koc
Value:
2.22
Remarks on result:
other: 5.0 mg/L pH10 (peak 2)
Type:
log Koc
Value:
3.19
Remarks on result:
other: 10 mg/L unadjusted (pH 6)
Type:
log Koc
Value:
2.5
Remarks on result:
other: 10 mg/L pH2
Type:
log Koc
Value:
1.84
Remarks on result:
other: 10 mg/L pH10 (peak 1)
Type:
log Koc
Value:
2.1
Remarks on result:
other: 10 mg/L pH10 (peak 2)

Results: HPLC method

Details on results (HPLC method):
- Retention times of reference substances used for calibration (s):
unadjusted pH
sodium nitrate 106
Acetanilide 163
Atrazine 239
Isoproturon 251
Linuron 370
Naphthalene 306
1,2,3-Trichlorobenzene 396
Fenthion 567
Phenanthrene 626

pH2
sodium nitrate 135
Acetanilide 160
Atrazine 230
Isoproturon 248
Linuron 371
Naphthalene 310
1,2,3-Trichlorobenzene 409
Fenthion 601
Phenanthrene 665

pH10
sodium nitrate 106
Acetanilide 161
Atrazine 234
Isoproturon 254
Linuron 372
Naphthalene 312
1,2,3-Trichlorobenzene 411
Fenthion 592
Phenanthrene 628
ppDDT 1835

- Details of fitted regression line (log k' vs. log Koc): unadjusted pH (pH 6) y= 2.82823x + 1.74943 R2= 0.90757, pH2 y=2.04551x + 2.38186 R2=0.88041, pH10 y=3.03587x + 1.70604 R2=0.95014

- Average retention data for test substance (s):
unadjusted pH
5mg/l 461
10 mg/l 448

pH2
5 mg/l 293
10 mg/l 288

pH10
5.0 mg/l peak 1 237
5.0 mg/l peak 2 262
10 mg/l peak 1 224
10 mg/l peak 2 248

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
The test results indicate that the test material will not be fully absorbed on soil and will be relatively mobile between soil and ground water, although its mobility will vary with pH. It is likely that it will be least mobile at neutral pH and show its highest mobility at alkaline pH.
Executive summary:

Introduction

This study was carried out to estimate the adsorption coefficient (Koc) of the test material using a high performance liquid chromatography (HPLC) correlation technique. The test method was designed to be compatible with:

- OECD Guideline 121, Estimation of the Adsorpton Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC).

Results and Conclusions

Estimated Log Koc

5.0 mg/l unadjusted pH (pH 6): 3.24      10.0 mg/l unadjusted pH (pH 6): 3.19

pH 2: 2.53                                                    pH 2: 2.50

pH 10: (peak 1) 1.99                                  pH 10 (peak 1): 1.84

pH 10: (peak 2) 2.22                                  pH 10 (peak 1): 2.10

The test results indicate that the test material will not be fully absorbed on soil and will be relatively mobile between soil and ground water, although its mobility will vary with pH. It is likely that it will be least mobile at neutral pH and show its highest mobility at alkaline pH.

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