Registration Dossier
Registration Dossier
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EC number: 607-997-7 | CAS number: 26776-30-7
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:
- 2011-10-06 to 2011-10-10
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions: result outside the range of applicability specified in the guideline
- 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))
- Version / remarks:
- (2001)
- Deviations:
- yes
- Remarks:
- (result outside the range of applicability specified in the guideline)
- 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))
- Version / remarks:
- (2008)
- Deviations:
- yes
- Remarks:
- (result outside the range of applicability specified in the guideline)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 19.5 °C - 19.7 °C, mean 19.6 °C
The temperature during the measurement was set to 20°C and recorded by a data logger (measuring interval 2 minutes). - Details on study design: HPLC method:
- Apparatus: HPLC AGILENT 1100
Column: YMC-Pack Cyano, serial no. 110930 20031, 250 x 4.0 mm, batch 8330, YMC EUROPE GMBH
Mobile phase: Acetonitrile / HPLC water (50:50, v/v), pH = 7.3
Detection: UV using DAD detector
Injection volume: 100 µL
Flow rate: 1 mL/min
Test concentration: 50.0 mg/L
Dead time determination: sodium nitrate (NaNO3), 2.0 mg/l
Reference substances (with log Koc); all 2 mg/l in separate solutions:
- Acetanilide (soil: 1.26; sewage sludge: 1.52)
- Atrazine (sewage sludge: 1.66)
- Monuron (soil: 1.99)
- 2,5-Dichloroaniline (soil: 2.55; sewage sludge: 2.45)
- Benzoic acid phenyl ester (soil: 2.87; sewage sludge: 3.26)
- Fenthion (sewage sludge: 3.75)
- Phenanthrene (soil: 4.09: sewage sludge: 4.35)
- DDT (soil: 5.63)
Replicates: Three separate injections
Two injections of each reference substance (one before and one after the analysis of the test item)
Three injections for NaNO3 at the beginning of the sample set - Type:
- log Koc
- Remarks:
- (soil)
- Value:
- >= 4.05 - <= 7.27
- Temp.:
- 19.6 °C
- Type:
- log Koc
- Remarks:
- (sewage sludge)
- Value:
- >= 4.07 - <= 7.32
- Temp.:
- 19.6 °C
- Details on results (HPLC method):
- Dead time: 1.449 ± 0.001 min
Acetanilide: 3.311 / 3.313 min, k' = 1.286
Atrazine: 4.210 / 4.210 min, k' = 1.905
Monuron: 3.936 / 3.937 min, k' = 1.717
2,5-Dichloroaniline: 6.061 / 6.048 min; k' 3.179
Benzoic acid phenyl ester: 7.149 / 7.113 min; k' = 3.921
Fenthion: 9.230 / 9.188 min; k' = 5.355
Phenanthrene: 9.113 / 9.100 min; k' = 5.285
4,4’-DDT: 20.090 / 19.976 min; k' = 12.825
log Koc (soil) = 4.319 log k' + 0.711 (r2 = 0.965)
log Koc (sewage sludge) = 4.363 log k' + 0.697 (r2 = 0.902)
impurity: 2.647 / 2.648 / 2.650 min; mean k' = 0.828; log Koc = 0.36 (soil), 0.34 (sewage sludge)
test substance peak 1: 10.074 / 10.023 / 10.048 min; mean k' = 5.934; log Koc = 4.05 (soil), 4.07 (sewage sludge)
test substance peak 2: 11.497 / 11.470 / 11.467 min; mean k' = 6.914; log Koc = 4.34 (soil), 4.36 (sewage sludge)
test substance peak 3: 14.786 / 14.740 / 14.764 min; mean k' = 9.189; log Koc = 4.87 (soil), 4.90 (sewage sludge)
test substance peak 4: 18.853 / 18.749 / 18.742 min; mean k' = 11.961; log Koc = 5.37 (soil), 5.40 (sewage sludge)
test substance peak 5: 20.548 / 20.461 / 20.522 min; mean k' = 13.155; log Koc = 5.54 (soil), 5.58 (sewage sludge)
test substance peak 6: 22.007 / 21.896 / 21.943 min; mean k' = 14.148; log Koc = 5.68 (soil), 5.72 (sewage sludge)
test substance peak 7: 25.350 / 25.328 / 25.075 min; mean k' = 16.427; log Koc = 5.96 (soil), 6.00 (sewage sludge)
test substance peak 8: 49.596 / 49.435 / 48.801 min; mean k' = 33.008; log Koc = 7.27 (soil), 7.32 (sewage sludge) - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient (Koc) of 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane on soil and on sewage sludge was determined in a GLP study with the HPLC method according to OECD TG 121 (2001) and EC method C. 19 (2008). The result was a range
- from log Koc = 4.05 (soil), 4.07 (sewage sludge), probably corresponding to the blocked trimer,
- via log Koc = 5.68 (soil), 5.72 (sewage sludge), probably corresponding to the blocked pentamer,
- to log Koc = 7.27 (soil), 7.32 (sewage sludge), probably corresponding to the blocked heptamer.
Koc = 1258925 (log Koc = 6.1) for soil and Koc = 3981071 (log koc = 6.6) for sewage sludge. This is "very high" adsorption potential (Koc > 10000) on the Blume scale. - Executive summary:
The adsorption coefficient (Koc) of 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane was determined in a GLP study with the HPLC method according to OECD TG 121 (2001) and EC method C. 19 (2008). The result was a range - from log Koc = 4.05 (soil), 4.07 (sewage sludge), probably corresponding to the blocked trimer, - via log Koc = 5.68 (soil), 5.72 (sewage sludge), probably corresponding to the blocked pentamer, - to log Koc = 7.27 (soil), 7.32 (sewage sludge), probably corresponding to the blocked heptamer.
Reference
Description of key information
The adsorption coefficient (Koc) of 2H-Azepin-2-one, hexahydro-, polymer with 1,6-diisocyanatohexane on soil and on sewage sludge was determined in a GLP study with the HPLC method according to OECD TG 121 (2001) and EC method C. 19 (2008). The result was a range
- from log Koc = 4.05 (soil), 4.07 (sewage sludge), probably corresponding to the blocked trimer,
- via log Koc = 5.68 (soil), 5.72 (sewage sludge), probably corresponding to the blocked pentamer,
- to log Koc = 7.27 (soil), 7.32 (sewage sludge), probably corresponding to the blocked heptamer.
This is "very high" adsorption potential (Koc > 10000) on the Blume scale.
Key value for chemical safety assessment
- Koc at 20 °C:
- 11 200
Additional information
[LogKoc: 4.05]
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