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EC number: 204-279-1 | CAS number: 118-82-1
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:
- From January to March 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
- Reason / purpose for cross-reference:
- reference to same study
- 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))
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
PHYSICO-CHEMICAL PROPERTIES refer to section 4 "physical and chemical properties". - Details on study design: HPLC method:
- HPLC METHOD:
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
- HPLC System: Agilent Technologies 1100 incorporating workstation
- Column: X SELECT HSS cyano 5 µm (150 x 4.6 mm id)
- Column temperature: 30°C
- Mobile phase: methanol:water (55:45 v/v)
- pH of mobile phase: 5.44
- Flow-rate: 1.0 ml/min
- Injection volume: 10 µl
- UV detector wavelength : dead time and reference standards: 210 nm/sample: 220 nm
PREPARATION OF THE SAMPLE
Test item (0.1046 g) was diluted to 100 ml with methanol and then diluted by a factor of 10 using methanol.
DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity 99.94%, 721 mg/l solution in methanol:water 55:45 v/v).
REFERENCE SUBSTANCES
- Identity:
* Acetanilide: purity: 99+% - Concentration: 103 mg/l
* Phenol: purity: 99+% - Concentration: 112 mg/l
* Atrazine: purity: 97.2% - Concentration: 100 mg/l
* Isoproturon: purity: 99.9% - Concentration: 115 mg/l
* Triadimenol: purity: 98.4% - Concentration: 108 mg/l
* Linuron: purity: 99.5% - Concentration: 108 mg/l
* Naphthalene: purity: 99+% - Concentration: 139 mg/l
* Endosulfan-diol: purity: 99.9% - Concentration: 127 mg/l
* Fenthion: purity: 98.3% - Concentration: 372 mg/l
* a-Endosulfan: purity: 99.6% - Concentration: 103 mg/l
* Phenanthrene: purity: 99.2% - Concentration: 103 mg/l
* Diclofop-methyl: purity: 97% - Concentration: 107 mg/l
* DDT: purity: 98% - Concentration: 100 mg/l
Note: the solution were prepared in methanol
CALCULATION
* Capacity factor
The capacity factor was determined as followed:
k = tr-t0/t0
where:
k = capacity factor
tr = retention time (min)
t0 = dead time (min)
* Adsorption Coefficient
The adsorption coefficient was calculated as followed:
Log10 Koc = Log10 k - A/B
where:
Koc = adsorption coefficient
k = capacity factor
A = intercept of the calibration curve
B = slope of the calibration curve - Type:
- Koc
- Value:
- > 427 000
- Temp.:
- 30 °C
- Remarks on result:
- other: Using HPLC screening method
- Type:
- log Koc
- Value:
- > 5.63
- Temp.:
- 30 °C
- Remarks on result:
- other: Using HPLC screening method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration:
* Formamide: 1.900 mins
* Acetanilide : 2.697 (Mean Retention time (mins) - 0.419 (Capacity factor, k) - -0.377 (Log10 k) - 1.25 (Log10 Koc)
* Phenol : 2.588 (Mean Retention time (mins) - 0.347 (Capacity factor, k) - -0.460 (Log10 k) - 1.32 (Log10 Koc)
* Atrazine : 3.671 (Mean Retention time (mins) - 0.932 (Capacity factor, k) - -3.05 x 10-2 (Log10 k) - 1.81 (Log10 Koc)
* Isoproturon : 3.960 (Mean Retention time (mins) - 1.08 (Capacity factor, k) - 3.52 x 10-2 (Log10 k) - 1.86 (Log10 Koc)
* Triadimenol : 5.432 (Mean Retention time (mins) - 1.86 (Capacity factor, k) - 0.269 (Log10 k) - 2.40 (Log10 Koc)
* Linuron : 5.756 (Mean Retention time (mins) - 2.03 (Capacity factor, k) - 0.307 (Log10 k) - 2.59 (Log10 Koc)
* Naphthalene : 4.927 (Mean Retention time (mins) - 1.59 (Capacity factor, k) - 0.202 (Log10 k) - 2.75 (Log10 Koc)
* Endosulfan-diol : 7.347 (Mean Retention time (mins) - 2.87 (Capacity factor, k) - 0.457 (Log10 k) - 3.02 (Log10 Koc)
* Fenthion : 8.810 (Mean Retention time (mins) - 3.64 (Capacity factor, k) - 0.561 (Log10 k) - 3.31 (Log10 Koc)
* a-Endosulfan : 12.830 (Mean Retention time (mins) - 5.75 (Capacity factor, k) - 0.760 (Log10 k) - 4.09 (Log10 Koc)
* Phenanthrene : 9.711 (Mean Retention time (mins) - 4.11 (Capacity factor, k) - 0.614 (Log10 k) - 4.09 (Log10 Koc)
* Diclofop-methyl: 13.639 (Mean Retention time (mins) - 6.18 (Capacity factor, k) - 0.791 (Log10 k) - 4.20 (Log10 Koc)
* DDT: 27.966 (Mean Retention time (mins) - 13.7 (Capacity factor, k) - 1.14 (Log10 k) - 5.63 (Log10 Koc)
- Calibration curve:
y = 0.347x - 0.6948
R2= 0.9397 - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test item has been determined to be greater than 4.27 x 105, log10 Koc >5.63. Therefore, the test item is likely to adsorb on soil and sediment.
- Endpoint:
- adsorption / desorption
- Remarks:
- other: estimated by calculation
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Internationally accepted method, EPI-Suite, EPA (USA)
- Principles of method if other than guideline:
- Calculation by EPI-Suite, EPA (USA) /KOCWIN v2.00
- GLP compliance:
- no
- Type:
- Koc
- Value:
- 36 440 000
- Remarks on result:
- other: MCI method
- Type:
- log Koc
- Value:
- 7.562
- Remarks on result:
- other: MCI method
- Type:
- Koc
- Value:
- 1 704 000
- Remarks on result:
- other: Kow method
- Type:
- log Koc
- Value:
- 6.231
- Remarks on result:
- other: Kow method
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Koc : 3.644E+007 L/kg (MCI method)
Log Koc: 7.562 (MCI method)
Koc : 1.704E+006 L/kg (Kow method)
Log Koc: 6.231 (Kow method) - Executive summary:
The estimated adsorption coefficient and Log Koc using KOCWIN v2.00 are as follows:
Koc : 3.644E+007 L/kg (MCI method)
Log Koc: 7.562 (MCI method)
Koc : 1.704E+006 L/kg (Kow method)
Log Koc: 6.231 (Kow method)
Referenceopen allclose all
Description of key information
Key study: Koc was measured in an HPLC screening test. The log Koc was > 5.6 the Koc > 42700 L/kg indicating that the substance is likely to adsorb to soil and sediment.
QSAR estimates confirm this result Koc : 3.644E+007 L/kg (MCI method)
Log Koc: 7.562 (MCI method)
Koc : 1.704E+006 L/kg (Kow method)
Log Koc: 6.231 (Kow method)
Key value for chemical safety assessment
Other adsorption coefficients
- Type:
- other: Koc >
- Value in L/kg:
- 42 700
- at the temperature of:
- 30 °C
Additional information
Koc was measured in an HPLC screening test. The log Koc was > 5.6 the Koc > 42700 L/kg indicating that the substance is likely to adsorb to soil and sediment.
The estimated adsorption coefficient and Log Koc using KOCWIN v2.00 are as follows:
Koc : 3.644E+007 L/kg (MCI method)
Log Koc: 7.562 (MCI method)
Koc : 1.704E+006 L/kg (Kow method)
Log Koc: 6.231 (Kow method)
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