Registration Dossier
Registration Dossier
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EC number: 211-121-5 | CAS number: 629-97-0
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:
- Testing was conducted between 06 July 2005 and 30 August 2005.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- 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 (incl. QA statement)
- Remarks:
- Date of inspection: 2/12/2002. Date of signature: 13/2/2003
- Type of method:
- HPLC estimation method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- Column temperature: 40°C
- Details on study design: HPLC method:
- The determination was carried out using the HPLC screening method.
- Key result
- Type:
- log Koc
- Value:
- > 5.63
- Temp.:
- 40 °C
- Details on results (HPLC method):
- Mean log10 Koc: >5.63
Adsorption coefficient: >4.27 x 10E5 - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of the test material has been determined to be >4.27 x 10E5, log10 Koc >5.63
- Executive summary:
Adsorption Coefficient
Greater than 4.27 x 105, log10 Koc >5.63, using the HPLC screening method, Method C19 of Commission Directive 2001/59/EC.
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Calculation of the log Koc to determine the potential for adsorption/desorption of chemicals is acceptable provided that a recognised and scientifically robust methos is used. SPARC v4.2 program has been used to calculate Koc using the log Kow. This approach is considered to be acceptable with restrictions. The information does not come from a test report, and the minimum fields required cannot be filled in.
- Justification for type of information:
- A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- Calculated using SPARC v4.2 (May 2008)
- GLP compliance:
- no
- Remarks:
- calculated
- Type of method:
- other: calculated
- Media:
- other: not applicable
- Radiolabelling:
- no
- Type:
- Koc
- Value:
- 184 000 000 000
- Validity criteria fulfilled:
- not applicable
- Remarks:
- calculated
- Conclusions:
- Estimated Koc using SPARC v4.2 is 1.84x10^11 L/kg.
- Executive summary:
Koc of icosane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (may 2008). The calculated value is 1.84x10^11 L/kg, using a log Kow of 11.46. This result suggests that icosane is expected to be immobile in soil.
Referenceopen allclose all
Results
Calibration
The retention times of formamide and the retention times, capacity factors (k) and log10 Koc values for the reference standards are shown in the two following tables:
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Formamide |
3.064 |
3.124 |
3.094 |
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k) |
Log10 k |
Log10 Koc |
|
Injection 1 |
Injection 2 |
|||||
Acetanilide |
3.821 |
3.820 |
3.821 |
0.235 |
-0.629 |
1.25 |
Phenol |
3.846 |
3.847 |
3.847 |
0.243 |
-0.614 |
1.32 |
Isoproturon |
4.621 |
4.623 |
4.622 |
0.494 |
-0.306 |
1.86 |
Triadimenol |
5.377 |
5.372 |
5.375 |
0.737 |
-0.132 |
2.40 |
Linuron |
5.804 |
5.802 |
5.803 |
0.876 |
-5.77 x 10-2 |
2.59 |
Naphthalene |
5.642 |
5.638 |
5.640 |
0.823 |
-8.47 x 10-2 |
2.75 |
Endosulfan-diol |
6.998 |
6.995 |
6.997 |
1.26 |
0.101 |
3.02 |
Fenthion |
7.852 |
7.860 |
7.856 |
1.54 |
0.187 |
3.31 |
α-Endosulfan |
10.090 |
10.096 |
10.093 |
2.26 |
0.355 |
4.09 |
Phenanthrene |
8.375 |
8.374 |
8.375 |
1.71 |
0.232 |
4.09 |
Diclofop-methyl |
9.905 |
9.904 |
9.905 |
2.20 |
0.343 |
4.20 |
DDT |
19.904 |
19.913 |
19.909 |
5.44 |
0.735 |
5.63 |
Adsorption coefficient of sample
The retention times, capacity factors and log10 Koc values determined for the sample are shown in the following table:
Injection |
Retention Time (mins) |
Capacity Factor (k) |
Log10 k |
Log10 Koc |
1 |
34.444 |
>5.44 |
>0.735 |
>5.63 |
2 |
34.466 |
>5.44 |
>0.735 |
>5.63 |
Mean log10 Koc: >5.63
Adsorption coefficient: >4.27 x 105
Equation used : log Koc = 0,00028 + 0,983 * logKow
Log kow used : 11.46
Description of key information
The adsorption coefficient (Koc) of the test material (C18-C50 branched, cyclic and linear hydrocarbons – Distillates (CAS# 848301-69-9) was determined to be >4.27 x 10E5, log10 Koc >5.63.
The Koc of icosane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (May 2008). The calculated value is 1.84 x 1011 L/kg, using a log Kow of 11.46. This result suggests that icosane is expected to be immobile in soil.
The data available for C18-C50 branched, cyclic and linear hydrocarbons – Distillates (CAS# 848301-69-9) and icosane is used for read across to Docosane.
Key value for chemical safety assessment
- Koc at 20 °C:
- 5.63
Additional information
The determination for C18 -C50 branched, cyclic and linear hydrocarbons - Distillates was carried out using the HPLC screening method, Method C19 of Commission Directive 200l/59/EC (which constitutes Annex V of Council Directive 67/548/EEC). The adsorption coefficient (Koc) of the test material was determined to be >4.27 x 105, log10 Koc >5.63. The test material was known to primarily be a complex mixture of alkanes. As the test material eluted after the mobile phase had been adjusted to 100% solvent, all components were deemed to be greater than that of the highest calibration standard.
The Koc of icosane has been estimated by calculation in the Concawe Library of Petrorisk, using SPARC v4.2 program (May 2008). The calculated value is 1.84 x 1011 L/kg, using a log Kow of 11.46. This result suggests that icosane is expected to be immobile in soil.
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