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EC number: 240-367-6 | CAS number: 16260-09-6
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Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 28 Aug - 18 Oct 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-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))
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The Department of Health of the Government of the United Kingdom
- Type of method:
- HPLC estimation method
- Radiolabelling:
- no
- Test temperature:
- 30 °C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC System: Agilent Technologies 1100 Series, incorporating autosampler
- Type, material and dimension of analytical (guard) column: Cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties: Waters XSelect HSS Cyano 5µm (150 x 4.6 mm id), Flow-rate: 1.0 mL/min, Injection volume: 10 µL
- Detection system: UV detector wavelength: 210 nm
MOBILE PHASES
- Type:
Phase A: methanol:reverse osmosis water (55:45 v/v)
Phase B: THF
- pH: 6.62
DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity 99.94%, 614 mg/L solution in methanol:water 55:45 v/v)
REFERENCE SUBSTANCES
Solutions of reference standards were prepared in methanol.
- Identity (purity in %, concentration in mg/L): Phenol (99+, 114), Atrazine (98.8, 105), Isoproturon (99.9, 100), Triadimenol (98.4, 133), Linuron (99.7, 98.0), Naphthalene (99+, 129), Endosulfan-diol (99.9, 116), Fenthion (98.3, 146), a-Endosulfan (99.6, 132), Diclofop-methyl (99.2, 124), Phenanthrene (97, 134), DDT (98, 157)
EVALUATION
- Calculation of capacity factors k': k' = (tr - t0) / t0 with tr = retention time and t0 dead time in min.
- Determination of the log Koc value: Log10 Koc = (Log10 k' - A) / B with Koc = adsorption coefficient, k' = capacity factor, A = intercept of the calibration curve, B = slope of the calibration curve - Analytical monitoring:
- no
- Type:
- log Koc
- Value:
- > 5.63
- Type:
- Koc
- Value:
- > 427 000
Reference
Tables: Retention times of the dead time and the retention times, capacity factors (k') and log10 Koc values for the reference standards.
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Formamide |
1.955 |
1.958 |
1.957 |
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k') |
Log10 k' |
Log10 Koc |
|
Injection 1 |
Injection 2 |
|||||
Phenol |
2.608 |
2.608 |
2.608 |
0.333 |
-0.478 |
1.32 |
Atrazine |
3.782 |
3.785 |
3.783 |
0.934 |
-2.98 x 10-2 |
1.81 |
Isoproturon |
4.078 |
4.078 |
4.078 |
1.08 |
3.52 x 10-2 |
1.86 |
Triadimenol |
5.585 |
5.582 |
5.583 |
1.85 |
0.268 |
2.40 |
Linuron |
5.796 |
5.793 |
5.795 |
1.96 |
0.293 |
2.59 |
Naphthalene |
4.976 |
4.978 |
4.977 |
1.54 |
0.189 |
2.75 |
Endosulfan-diol |
7.334 |
7.329 |
7.331 |
2.75 |
0.439 |
3.02 |
Fenthion |
8.794 |
8.814 |
8.804 |
3.50 |
0.544 |
3.31 |
a-Endosulfan |
12.783 |
12.751 |
12.767 |
5.53 |
0.742 |
4.09 |
Diclofop-methyl |
13.666 |
13.663 |
13.664 |
5.98 |
0.777 |
4.20 |
Phenanthrene |
9.634 |
9.631 |
9.632 |
3.92 |
0.594 |
4.09 |
DDT |
27.943 |
27.921 |
27.932 |
13.3 |
1.12 |
5.63 |
Table: Retention times, capacity factor and log10 Koc values determined
Injection |
Retention Time (mins) |
Capacity Factor (k') |
Logio k' |
Logio Koc |
Adsorption Coefficient |
1 |
39.483 |
>13.3 |
>1.12 |
>5.63 |
>4.27 x 105 |
2 |
39.477 |
>13.3 |
>1.12 |
>5.63 |
>4.27 x 105 |
As the test item had a high affinity for the stationary phase of the column, the mobile phase was adjusted to 100% THF shortly after the retention time of DDT to elute the sample. As the slope of the calibration curve for the reference standards showed good first order correlation and as the retention times between duplicate injections for each solution were consistent, the HPLC method was considered valid for the determination of adsorption coefficient. Based on the chromatographic data, the test item was considered to be stable during the test procedure.
Description of key information
Log Koc > 5.6, OECD 121, (log Koc = 8.81 (KOCWIN v2.00))
Key value for chemical safety assessment
Additional information
(Z)-N-Octadec-9-enylhexadecan-1-amide (CAS No. 16260-09-6) is expected to adsorb to suspended solids and sediment based upon a measured log Koc of > 5.6. The adsorption coefficient has been determined to be greater than 4.27E5 (log Koc > 5.6) using the HPLC screening method according to OECD 121. The test substance is highly insoluble in water and as the test item had a high affinity for the stationary phase of the column, the mobile phase was adjusted to 100% tetrahydrofuran shortly after the retention time of DDT to elute the sample. As the slope of the calibration curve for the reference standards showed good first order correlation and as the retention times between duplicate injections for each solution were consistent, the HPLC method was considered valid for the determination of adsorption coefficient. Based on the chromatographic data, the test item was considered to be stable during the test procedure.
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