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Environmental fate & pathways

Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption, other
Type of information:
experimental study
Adequacy of study:
key study
Study period:
The study was conducted between 24 March 2016 and 08 April 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
Version / remarks:
22 January 2001
Deviations:
no
Qualifier:
according to
Guideline:
EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
Version / remarks:
30 May 2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC estimation method
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: sponsor Lot/Batch number 5399661C10
- Expiration date of the lot/batch: 24 February 2020
- Purity test date:

RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity:
- Specific activity:
- Locations of the label:
- Expiration date of radiochemical substance:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature in the dark
- Stability under test conditions:
- Solubility and stability of the test substance in the solvent/vehicle:
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing:
- Preliminary purification step (if any):
- Final dilution of a dissolved solid, stock liquid or gel:
- Final preparation of a solid:

FORM AS APPLIED IN THE TEST (if different from that of starting material)

OTHER SPECIFICS:
Radiolabelling:
no
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: HPLC
- Type: Agilent Technologies 1200 series
- Type, material and dimension of analytical (guard) column: Waters XSelect HSS Cyano 5 mm (150 x 4.6 mm id)
- Detection system: UV detector wavelength : 210 nm

MOBILE PHASES
- Type: Reverse phase: Methanol: purified water (55:45 v/v) Ramp to 100% Methanol post 30 minutes (over 30 mins) for samples only
- Experiments with additives carried out on separate columns: no
- pH: 6.9
- Solutes for dissolving test and reference substances: methanol

DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column - formamide

REFERENCE SUBSTANCES
- Identity: Acetanilide, Phenol, Atrazine, Isoproturon, Triademinol, Linuron, Napthalene, Endosulfan-diol, Fenthion, alpha-Endpsulfan, Phenanthrene, Diclofop-methyl, DDT (Table 1 below)

DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 26.25 µg
- Quantity of reference substances: 1 - 1.6 µg
- Intervals of calibration:

REPETITIONS
- Number of determinations: 2

EVALUATION
- Calculation of capacity factors k': yes
- Calculation of retention times: no
- Determination of the log Koc value: yes
Key result
Sample No.:
#1
Type:
Koc
Value:
ca. 17.8 - < 427 000 dimensionless
pH:
7
Temp.:
30 °C
Matrix:
Cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used.
Remarks on result:
other: pH nominal 7 (not n=measured because
Remarks:
test substance has no ionisable groups
Details on results (HPLC method):
- Retention times of reference substances used for calibration: See Table 2
- Details of fitted regression line (log k' vs. log Koc): Y = 0.3368x - 0.7311
- Graph of regression line attached: no
- Average retention data for test substance: 21.65 mins

Table 2: Retention times, capacity factors and log10 Koc values for reference standards.

 Standard  Mean retention time (mins)  Capacity factor (k')  Log10 k'  Log10 Koc
 Acetanilide  2.711  0.365  -0.437  1.25
 Phenol  2.566  0.292  -0.535  1.32
 Atrazine  3.738  0.883  -5.42 x 10-2  1.81
 Isoproturon  3.984  1.01  2.64 x 10-3  1.86
 Triadimenol  5.320  1.68  0.225  2.40
 Linuron  5.433  1.74  0.240  2.59
 Naphthalene  4.696  1.37  0.135  2.75
 Endosulfan-diol  6.650  2.35  0.371  3.02
 Fenthion  8.057  3.06  0.485  3.31
 alpha-Endosulfan  11.300  4.695  0.671  4.09
 Phenanthrene  8.729  3.40  0.531  4.09
 Diclofop-methyl  12.234  5.16  0.713  4.20
 DDT  24.461  11.3  1.05  5.63

Table 3: Retention times, capacity factor, log10 and Koc values for RD14153

 Peak  Mean retention time (mins)  Mean capacity factor (k')  Mean Log10 Koc  Adsorption coeff.  Mean % area
 1  2.182  9.90 x 10-2  <1.25  <17.8  28.8
 2  21.137  9.65  5.09  1.24 x 105  60.3
 3  43.480  20.9  >5.63  >4.27 x 105  6.43
 4  47.797  23.1  >5.63   >4.27 x 105  1.55
 5  49.770  24.1  >5.63   >4.27 x 105  0.40
 6  50.501  24.4  >5.63   >4.27 x 105  1.48
 7  53.352  25.9  >5.63   >4.27 x 105  1.08
Validity criteria fulfilled:
yes
Conclusions:
The test item has a range of adsorption coefficient results, with the main peak by area percent being present at an adsorption coefficient of 1.24 x 105 (log10 Koc 5.09).
The adsorption coefficient (Koc) of the test item has been determined to have a range of <17.8 to > 4.27 x 105, log10 Koc <1.25 to >5.63, with the largest peak by area percent being represented by an adsorption coefficient 1.24 x 105, log10 Koc 5.09.
Executive summary:

The adsorption coefficient of RD 14153 has been determined to be have a range of <17.8 to >4.27 x 105. log10 Koc <1.25 to >5.63, with the largest peak by area being representes by an adsorption coefficient of 1.24 x 105, log10 Koc 5.09. using the HPLC screening method.

Description of key information

The adsorption coefficient of RD 14153 has been determined to be have a range of <17.8 to >4.27 x 105. log10Koc<1.25 to >5.63, with the largest peak by area being representes by an adsorption coefficient of 1.24 x 105, log10Koc5.09. using the HPLC screening method.

Key value for chemical safety assessment

Koc at 20 °C:
123 027

Additional information

[LogKoc: 5.09]