Registration Dossier
Registration Dossier
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EC number: 940-667-3 | CAS number: -
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- Test phase 2013-04-19 to 2013-04-26
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Meets the criteria as reliable with restrictions according to Klimisch et al (1997). This read-across is based on the hypothesis that the Source and Target substances will have similar toxicological and ecotoxicological properties due to their close physical-chemical and structural similarities. For example, both the Source and Target substances are monoconstituents which share structural similarities and contain the same functional groups (thio ether, sulfonate, vicinal nitrile groups).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test 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))
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- other: HPLC column
Test material
- Reference substance name:
- Automatically generated during migration to IUCLID 6, no data available
- IUPAC Name:
- Automatically generated during migration to IUCLID 6, no data available
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- See Confidential details on test material section
Constituent 1
Study design
- Test temperature:
- 20.00 - 21.25 C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: A HPLC sysytem comprising of HPLC pump, Injection valve fitted with 100ul loop, 25cm x 4.6 mm id column packed with a 5um CN phase, Photo diode array detector with the scan range from 210 to 400nm, Chromotography data system.
MOBILE PHASES
- Type:55% methanol and 45% deionised water pumped through at a flow rate of1.5ml/min.
- pH: Unadjusted pH6, also adjusted to pH2 and pH 10.
DETERMINATION OF DEAD TIME
- Method: by inert substance, sodium nitrate, which is not retained by the column
REFERENCE SUBSTANCES
- Identity: Acetanilide, Atrazine, Isoproturon, Linuron, Naphthalene, 1,2,3-Trichlorobenzene, Fenthion, Phenanthrene, ppDDT
EVALUATION
- Calculation of capacity factors k': Retention time of test material - column dead time/ column dead time
- Calculation of retention times:All the reference substances were injected in duplicate, as a minimum, and the mean retention times were determined. Each concentration of the test material was also injected in duplicate and the mean retention time determined for each concentration.
- Determination of the log Koc value: Determined from the regression line of experimentally derived k' measurements and the literature Koc values of the the reference substances
Batch equilibrium or other method
- Analytical monitoring:
- no
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- 3.24
- Remarks on result:
- other: 5.0 mg/L unadjusted (pH 6)
- Type:
- log Koc
- Value:
- 2.53
- Remarks on result:
- other: 5.0 mg/L pH2
- Type:
- log Koc
- Value:
- 1.99
- Remarks on result:
- other: 5.0 mg/L pH10 (peak 1)
- Type:
- log Koc
- Value:
- 2.22
- Remarks on result:
- other: 5.0 mg/L pH10 (peak 2)
- Type:
- log Koc
- Value:
- 3.19
- Remarks on result:
- other: 10 mg/L unadjusted (pH 6)
- Type:
- log Koc
- Value:
- 2.5
- Remarks on result:
- other: 10 mg/L pH2
- Type:
- log Koc
- Value:
- 1.84
- Remarks on result:
- other: 10 mg/L pH10 (peak 1)
- Type:
- log Koc
- Value:
- 2.1
- Remarks on result:
- other: 10 mg/L pH10 (peak 2)
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration (s):
unadjusted pH
sodium nitrate 106
Acetanilide 163
Atrazine 239
Isoproturon 251
Linuron 370
Naphthalene 306
1,2,3-Trichlorobenzene 396
Fenthion 567
Phenanthrene 626
pH2
sodium nitrate 135
Acetanilide 160
Atrazine 230
Isoproturon 248
Linuron 371
Naphthalene 310
1,2,3-Trichlorobenzene 409
Fenthion 601
Phenanthrene 665
pH10
sodium nitrate 106
Acetanilide 161
Atrazine 234
Isoproturon 254
Linuron 372
Naphthalene 312
1,2,3-Trichlorobenzene 411
Fenthion 592
Phenanthrene 628
ppDDT 1835
- Details of fitted regression line (log k' vs. log Koc): unadjusted pH (pH 6) y= 2.82823x + 1.74943 R2= 0.90757, pH2 y=2.04551x + 2.38186 R2=0.88041, pH10 y=3.03587x + 1.70604 R2=0.95014
- Average retention data for test substance (s):
unadjusted pH
5mg/l 461
10 mg/l 448
pH2
5 mg/l 293
10 mg/l 288
pH10
5.0 mg/l peak 1 237
5.0 mg/l peak 2 262
10 mg/l peak 1 224
10 mg/l peak 2 248
Any other information on results incl. tables
The Source substance has a comprehensive data set generated for a REACH Annex VIII registration and this along with its similarity to the Target substance are considered sufficient to consider the read-across an appropriate adaptation to the standard information requirements of Annex VII of the REACH regulation for the Target substance in accordance with the provisions of Annex XI, 1.5 of the REACH regulation. Please see the attached document in the Background Material section for further details on the justification of the read across approach.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The test results indicate that the (source) test material will not be fully absorbed on soil and will be relatively mobile between soil and ground water, although its mobility will vary with pH. It is likely that it will be least mobile at neutral pH and show its highest mobility at alkaline pH.
The Source substance has a comprehensive data set generated for a REACH Annex VIII registration and this along with its similarity to the Target substance are considered sufficient to consider the read-across an appropriate adaptation to the standard information requirements of Annex VII of the REACH regulation for the Target substance in accordance with the provisions of Annex XI, 1.5 of the REACH regulation. Please see the attached document in the Background Material section for further details on the justification of the read across approach. - Executive summary:
Introduction
This study was carried out to estimate the adsorption coefficient (Koc) of the (source) test material using a high performance liquid chromatography (HPLC) correlation technique. The test method was designed to be compatible with:
- OECD Guideline 121, Estimation of the Adsorpton Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC).
This read-across is based on the hypothesis that the Source and Target substances will have similar toxicological and ecotoxicological properties due to their close physical-chemical and structural similarities. For example, both the Source and Target substances are monoconstituents which share structural similarities and contain the same functional groups (thio ether, sulfonate, vicinal nitrile groups).
Results and Conclusions
Estimated Log Koc
5.0 mg/l unadjusted pH (pH 6): 3.24 10.0 mg/l unadjusted pH (pH 6): 3.19
pH 2: 2.53 pH 2: 2.50
pH 10: (peak 1) 1.99 pH 10 (peak 1): 1.84
pH 10: (peak 2) 2.22 pH 10 (peak 1): 2.10
The test results indicate that the source test material will not be fully absorbed on soil and will be relatively mobile between soil and ground water, although its mobility will vary with pH. It is likely that it will be least mobile at neutral pH and show its highest mobility at alkaline pH.
The Source substance has a comprehensive data set generated for a REACH Annex VIII registration and this along with its similarity to the Target substance are considered sufficient to consider the read-across an appropriate adaptation to the standard information requirements of Annex VII of the REACH regulation for the Target substance in accordance with the provisions of Annex XI, 1.5 of the REACH regulation. Please see the attached document in the Background Material section for further details on the justification of the read across approach.
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