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EC number: 457-330-7 | CAS number: 66034-17-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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:
- 04 to 12 February 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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:
- January 2001
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- Column temperature: 25 °C
- Details on study design: HPLC method:
- CHEMICALS
The following chemicals were used for preparing test solutions and HPLC solvent:
- Water, deionized (MilliQ).
- Methanol, ultrapure (Biosolve, Ltd.), batch 29716
- Formic acid, p.a. (Merck), lot K 27372564 006
- Ammonium formiate, p.a. (Fluka), lot 42071111
EQUIPMENT
The retention time of the diluted samples was determined by HPLC-MS. For details see attachment “T-1063FM – HPLC conditions and reference substances adsorption.pdf”.
MOBILE PHASES
- Type: methanol/water 55/45 v/v% and methanol/0.01 Mol/1 NH4COOH, 55/45 v/v% (pH 5.5)
- Solutes for dissolving test and reference substances: methanol (reference substances), water (test substance)
DETERMINATION OF DEAD TIME
- Determination of the dead time to by inert substance (urea) which is not retained by the column
REFERENCE SUBSTANCES
- Identity: Urea, Acetanilide, Monuron, Aniline, Linuron, Methiocarb, Pyrazophos
For details see attachment “T-1063FM – HPLC conditions and reference substances adsorption.pdf”.
For aniline a very bad shaped peak with a indefinable retention time was obtained in methanol/water 55/45 v/v%. For this system, only 5 reference components were used.
REPRODUCIBILITY
For the two solvent systems used in this study, i.e. methanol/water 55/45 v/v % and methanol/0.01 Mol/l NH4COOH 55/45 v/v % (pH 5.5), correlation coefficients of 0.94 and 0.91, respectively, were obtained for the reference substances.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 8.8 µg
- Quantity of reference substances: 3.92 µg (urea); 1.46 µg (aniline); 0.39-0.59 µg (rest)
REPEATABILITY
The measurements were all carried out in duplicate. In case peaks were obtained the values of log Koc derived from the individual measurement for the test substance were within a range of 0.25 log unit (for the piperazine ion using methanol/0.01 Mol/l NH4COOH 55/45 v/v% (pH 5.5)).
EVALUATION
- Calculation of capacity factors k': k’ = (tr– t0)/t0
- Determination of the log Koc value: logKoc= a*log k’ + b; in which: a = slope; b = intercept - Key result
- Type:
- log Koc
- Value:
- 3.1
- pH:
- 5.5
- Temp.:
- 25 °C
- Remarks on result:
- other: positively charged piperazine ion
- Key result
- Type:
- log Koc
- Value:
- 2.02 - 3.46
- pH:
- 5.5
- Temp.:
- 25 °C
- Remarks on result:
- other: negatively charged pyrophosphate ion
- Remarks:
- not reliable due to undefined collection of small peaks
- Details on results (HPLC method):
- METHANOL/WATER 55/45 v/v %
The test substance was analysed in between the mix of reference substances in the positive and in the negative ionisation mode. The results of duplicate injections are shown in Table 1 and 2 in attachment “T-1063 – results adsorption.pdf”. The test substance consisted of two ions, e.g. piperazine ion and pyrophosphate ion. Piperazine was analyzed in the positive mode with characteristic mass of 87.0 m/z. The chromatogram of piperazine showed no peak as under the applied conditions piperazine was not eluted from the column (retention time >> retention of Pyrazophos and as a result of this the log Koc of piperazine was >> 3.65). Pyrophosphate was analyzed in the negative mode with characteristic mass of 177.1 m/z. The chromatogram of pyrophosphate showed peaks at tr of 2.61 (first analysis) and 2.63 min (second analysis). These retention times are smaller than t0, i.e. the retention time of urea. As a result the log Koc could not be calculated.
METHANOL/0.01 MOL/L NH4COOH 55/45 v/v % (pH 5.5)
The test substance was analyzed in between the mix of reference substances in the positive and in the negative ionisation mode. The results of duplicate injections are shown in Table 3 and 4 in attachment “T-1063 – results adsorption.pdf”. The chromatogram of positive piperazine-ion showed a peak around tr= 4.1 min. Using the calibration line of the reference substances, the log Koc of the piperazine ion was calculated and the result is shown in Table 4. The chromatogram of the negative pyrophosphate -ion showed an undefined collection of small peaks around tr= 3.69 - 4.30 min. As a result, no distinct log Koc could be calculated for pyrophosphate. For that reason the results based on tr= 3.69 - 4.30 min, and shown in Table 4, are in italic. - Validity criteria fulfilled:
- yes
- Conclusions:
- For methanol/water 55/45 v/v % the log Koc of the positive ion of the test substance could not be determined as this component was not eluted from the column under the applied conditions. Its retention time was much greater than the retention time of Pyrazophos (with a log Koc of 3.65). The negatively charged pyrophosphate showed a peak in the chromatogram with retention time lower than to. Hence, the Koc could not be calculated. For methanol/0.01 Mol/l NH4COOH 55/45 v/v% (pH 5.5), the log Koc of the positively charged piperazine ion was 3.10. For the negatively charged pyrophosphate ion, an undefined collection of small peaks was observed in the chromatogram with a log Koc of 2.02- 3.46.
- Executive summary:
Log Koc value of piperazin ion (3.10) was used for PNEC determination.
Reference
Description of key information
Log Koc at 25 °C (column temparature):
positively charged piperazine ion = 3.10
negatively charged pyrophosphat ion = 2.02 - 3.46 (undefined collection of small peaks)
(HPLC method; OECD guideline 121)
Key value for chemical safety assessment
Additional information
Log Koc at 25 °C (column temparature):
positively charged piperazine ion = 3.10
negatively charged pyrophosphat ion = 2.02 - 3.46 (undefined collection of small peaks)
Log Koc value of piperazin ion was used for PNEC determination.
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