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EC number: 223-225-8 | CAS number: 3775-29-9
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:
- Experimental starting date:
30 May 2019
Experimental completion date:
01 June 2019 - Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline 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
- 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 (incl. QA statement)
- Type of method:
- HPLC estimation method
- Specific details on test material used for the study:
- Identification: 2-methylene-1, 3-propanediol diacetate
CAS number: 3775-29-9
Appearance/Physical state: clear, colourless liquid
Batch: 20160308-88
Purity: 99.7%
Expiry / Retest date: 31 March 2020
Storage conditions: room temperature, in the dark - Details on study design: HPLC method:
- Preparation of dead time solution
The dead time was determined by measuring the retention time of a solution of formamide (purity* 99.6%) at 609 mg/L in methanol:purified water (55:45 v/v).
Preparation of reference standard solutions
Solutions of reference standards (see any other information on method and materials) were prepared in methanol.
Preparation of sample solution
The test item (0.1040 g) was diluted to 100 mL with methanol to give a concentration of 1.04 x 103 mg/L.
Determination of retention time
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Agilent Technologies 1200, incorporating workstation and autosampler
Detector type: variable wavelength (VW)
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: 6.0
Flow-rate: 1.0 mL/min
Injection volume: 10 μL
VW detector wavelength: 210 nm - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 0.867
- pH:
- 6
- Temp.:
- 30 °C
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient of the test item has been determined to be 7.36, log10 Koc 0.867.
- Executive summary:
7.36, log10Koc of 0.867, using the HPLC screening method, designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
Reference
Calibration
The retention times of the dead time and the retention times, capacity factors and log10 Koc values for the reference standards are shown in the following table:
| Standard | Retention Time (min) | Mean Retention Time (min) | Capacity Factor (k') | Log10K' | Log10Koc | |
| Injection 1 | Injection 2 | |||||
| Formamide (dead time) | 1.921 | 1.921 | 1.921 | - | - | - |
| Acetanilide | 2.627 | 2.63 | 2.629 | 0.368 | -0.434 | 1.25 |
| Phenol | 2.511 | 2.513 | 2.512 | 0.307 | -0.512 | 1.32 |
| Atrazine | 3.629 | 3.641 | 3.635 | 0.892 | -0.0496 | 1.81 |
| Isoproturon | 3.877 | 3.877 | 3.877 | 1.02 | 0.0076 | 1.86 |
| Triadimenol | 5.223 | 5.218 | 5.221 | 1.72 | 0.235 | 2.4 |
| Linuron | 5.33 | 5.332 | 5.331 | 1.78 | 0.249 | 2.59 |
| Naphthalene | 4.609 | 4.612 | 4.611 | 1.4 | 0.146 | 2.75 |
| Endosulfan-diol | 6.63 | 6.635 | 6.633 | 2.45 | 0.39 | 3.02 |
| Fenthion | 7.899 | 7.892 | 7.895 | 3.11 | 0.493 | 3.31 |
| α-Endosulfan | 11.198 | 11.22 | 11.209 | 4.83 | 0.684 | 4.09 |
| Phenanthrene | 12.084 | 12.108 | 12.096 | 5.3 | 0.724 | 4.2 |
| Diclofop-methyl | 8.593 | 8.61 | 8.601 | 3.48 | 0.541 | 4.09 |
| DDT | 23.799 | 23.848 | 23.823 | 11.4 | 1.06 | 5.63 |
Adsorption Coefficient
The retention time, capacity factor and log10 Koc values determined for the sample are shown in the following table:
| Peak | Injection | Retention Time (min) | Capacity Factor (K') | Log10 K' | Log10 Koc | Mean Log10 Koc | Mean Area % |
| 1 | 1 | 2.329 | 0.212 | -0.673 | <1.25 | <1.25 | 8.1 |
| 2 | 2.319 | 0.207 | -0.684 | <1.25 | |||
| 2 | 1 | 2.644 | 0.376 | -0.425 | 0.878 | 0.867 | 84.1 |
| 2 | 2.632 | 0.37 | -0.432 | 0.856 | |||
| 3 | 1 | 3.231 | 0.682 | -0.166 | 1.65 | 1.64 | 2.9 |
| 2 | 3.219 | 0.676 | -0.17 | 1.63 | |||
| 4 | 1 | 7.855 | 3.09 | 0.49 | 3.6 | 3.59 | 3.4 |
| 2 | 7.826 | 3.07 | 0.488 | 3.59 | |||
| 5 | 1 | 8.185 | 3.26 | 0.513 | 3.67 | 3.66 | 1.5 |
| 2 | 8.142 | 3.24 | 0.51 | 3.66 |
Overall log10 Koc: 0.867
Overall adsorption coefficient: 7.36
Description of key information
7.36, log10Koc of 0.867, using the HPLC screening method, designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
Key value for chemical safety assessment
- Koc at 20 °C:
- 7.36
Additional information
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