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EC number: 209-665-3 | CAS number: 589-92-4
- 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:
- 2016-01-06 until 2016-04-26
- 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))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: cyanopropyl solid phase HPLC column, for simulation of soil and sewage sludge effect
- Specific details on test material used for the study:
- test substance stored below 30°C
- Radiolabelling:
- no
- Test temperature:
- 25 °C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Waters Acquity HPLC with Waters TUV detector and Waters tandem quadrupole MS TQ detector
- Type, material and dimension of analytical column: Luna CN 100A, 150 x 4.6 mm, 5 µm, Phenomenex
- Detection systems: UV(at 220 nm) and MS (Electrospray positive (ES+))
MOBILE PHASES
- Type: acetonitrile/water 50:50 (v:v)
- Experiments with additives carried out on separate columns: no
- pH: -
- Solutes for dissolving test and reference substances: acetonitrile
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (formamide)
REFERENCE SUBSTANCES
- Identity: Acetanilide, Aniline, Atrazine, Isoproturon, Phenol, Triadimenol A
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10 µg (20 µL of a 500 µg/mL solution)
- Quantity of reference substances: 2 µg (20 µL of a 100 µg/mL solution)
- Intervals of calibration: All reference compounds were injected before (injection A) and after (injection B) the test item to confirm that retention times had not drifted.
REPETITIONS
- Number of determinations: Two replicates (injections) per reference compounds and test item
EVALUATION
- Calculation of capacity factors k': k' and log k' were calculated using the measured retention times
- Determination of the log Koc value: correlation graph was produced by plotting the log k' value versus the log Koc value for each reference compound; literature log Koc values were obtained from OECD Guideline 121. A log Koc value for the test item was then extrapolated from the correlation graph. - Analytical monitoring:
- not required
- Key result
- Type:
- Koc
- Value:
- 56
- Temp.:
- 25 °C
- Details on results (HPLC method):
- See Overall remarks, attachments.
- Transformation products:
- not measured
- Validity criteria fulfilled:
- yes
- Conclusions:
- The KOC estimated from the log KOC for the test material was 56, which would be predicted to have a “high” potential mobility in soil, as estimated by the use of a HPLC screening method. Log Koc = 1.75.
- Executive summary:
The adsorption coefficient of test substance was estimated according to the OECD Guideline for Testing of Chemicals, 121, Estimation of the Adsorption Coefficient (KOC) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC).
The test item was chromatographed on a cyanopropyl solid phase HPLC column concurrently with 7 reference compounds of known adsorption coefficient values. UV- and MS-detection was performed where possible.
Following chromatography using acetonitrile:water (50:50, v:v) as mobile phase, a correlation graph was produced by plotting the Log k’ value versus the Log10KOCvalue for each compound. Literature Log10KOCvalues were obtained from OECD Guideline 121.
Log10Kocvalues for the test items were then extrapolated from the correlation graph.
A good correlation between Log10k’ and Log10KOCis observed for the reference compounds tested with a coefficient of determination r2of 0.6925. Both reference compounds and test substance were injected onto the HPLC system as solutions in acetonitrile.
A peak was observed for the test substance by mass spectrometry with a retention time of 4.9 minutes.
The mean adsorption coefficient of duplicate determinations of test item was estimated to be as follows:
Test Item
Log10KOC
KOC
1.75
56
Reference
Description of key information
A single study investigating the absorption of 4 -methylcyclohexanone is available. The study was conducted under GLP using the OECD guideline 121. The log KOC for the test item was 1.75, which would be predicted to have a “high” potential mobility in soil, as estimated by the use of a HPLC screening method. The study is considered to be relevant and reliable. Because there is a low potential for absorption, and the substance is readily biodegradable, these results are considered to be adequate and no further testing is required at this or higher tonnage bands.
Key value for chemical safety assessment
- Koc at 20 °C:
- 56
Additional information
The experiment was conducted at 25°C (column temperature).
[LogKoc: 1.75]
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