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EC number: 270-485-3 | CAS number: 68442-68-2
- 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:
- 2016-03-18 - 2016-04-01 (experimental phase)
- 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:
- Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001
- Deviations:
- no
- 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:
- Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: virtual estimation via HPLC using reference items for soil or sewage sludge matrices
- Radiolabelling:
- no
- Test temperature:
- column temperature: 30°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC System: Agilent Technologies 1100 series, incorporating autosampler and workstation
- Type, material and dimension of analytical (guard) column: Phenomenex Luna CN 5 μm 100 Å (150 x 4.6 mm), 30°C
- Detection system: UV detector, wavelength: 210 nm for dead time and reference items, 288 for test item
MOBILE PHASES
- Type: 55:45 (v/v) methanol:purified water
- Experiments with additives carried out on separate columns: no
- pH: 6.34
- Solutes for dissolving test and reference substances: methanol
Due to the high affinity of some of the test item isomers for the HPLC column stationary phase, it was necessary to amend the mobile phase composition to 100% methanol to achieve complete elution. This was performed at a time (24 to 25 min) greater than the retention time of the highest log Koc reference item, such that the test item isomers eluted by the amended mobile phase demonstrated a log Koc value greater than 5.63.
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column
The dead time was determined by measuring the retention time of formamide (purity 99.94%, 620 mg/L solution in 55:45 (v/v) methanol:purified water).
REFERENCE SUBSTANCES
- Identity:
Reference Item Purity* (%) Concentration (mg/L)
Acetanilide 99+ 120
Phenol 99.9 143
Atrazine 99.1 107
Isoproturon >98.0 163
Triadimenol 98.0 106
Linuron 99.7 100
Naphthalene 99+ 114
Endosulfan-diol 99.9 160
Fenthion 97.9 152
α-Endosulfan 99.6 101
Phenanthrene ≥99.5 125
Diclofop-methyl 99.1 133
DDT 98.7 144
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10µl of a 256 mg/L solution
- Quantity of reference substances: 10µl, solution see above
REPETITIONS
- Number of determinations: duplicates
EVALUATION
- Calculation of capacity factors k': The capacity factors (k') for the reference items were calculated from the retention time data of the dead time and reference item solutions using Equation k' = (tr - t0) / t0
k' = capacity factor, tr = retention time (min), t0 = dead time (min)
- Calculation of retention times: determined
- Determination of the log Koc value: The log10 Koc value was determined using the following Equation with reference to the calibration curve: Log10Koc = (log10k' - A) / B
Koc = adsorption coefficient, k' = capacity factor, A = intercept of the calibration curve, B = slope of the calibration curve - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Remarks:
- Peak 1
- Value:
- 4.77 dimensionless
- pH:
- 6.34
- Temp.:
- 30 °C
- Remarks on result:
- other: Koc = 5.94 x 10exp4
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Remarks:
- Peak 2
- Value:
- > 5.63 dimensionless
- pH:
- 6.34
- Temp.:
- 30 °C
- Remarks on result:
- other: Koc > >4.27 x 10exp5
- Key result
- Sample No.:
- #3
- Type:
- log Koc
- Remarks:
- Peak 3
- Value:
- > 5.63 dimensionless
- pH:
- 6.34
- Temp.:
- 30 °C
- Remarks on result:
- other: Koc > >4.27 x 10exp5
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see table below
- Details of fitted regression line (log k' vs. log Koc): y = 0.4037x - 1.3118; R² = 0.9808
- Graph of regression line attached
- Average retention data for test substance:
Peak 1: 11.878 min
Peak 2: 27.865 min
Peak 3: 28.295 min - Validity criteria fulfilled:
- yes
- Remarks:
- The calibration curve for the reference items showed good first order correlation (R² = 0.9808) and retention times between duplicate injections were consistent, indicating that the HPLC method was valid for the estimation of the Koc of the test item.
- Conclusions:
- The study was conducted under GLP according to OECD guideline 121 on the registered substance itself without deviations. The method is to be considered scientifically reasonable with no deficiencies in documentation. The adsorption coefficient (Koc) of the test item has been determined to be in the range from 5.94 x 10exp4 to greater than 4.27 x 10exp5, log10 Koc from 4.77 to greater than 5.63. The test item can therefore be classified as immobile.
- Executive summary:
The adsorption coefficient (Koc) of Benzenamine, N-phenyl-, styrenated CAS No. 68442-68-2 has been determined to be in the range from 5.94 x 10exp4 to greater than 4.27 x 10exp5, log10 Koc from 4.77 to greater than 5.63, using the HPLC screening method. The procedure was designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001, under GLP, and to satisfy the data requirements of REACH Regulation (EC) No 1907/2006. The test item can therefore be classified as immobile.
Reference
Description of key information
The adsorption coefficient (Koc) is in the range from 5.94 x 10exp4 to greater than 4.27 x 10exp5, log10Koc from 4.77 to greater than 5.63 (HPLC screening method, OECD 121, GLP)
Key value for chemical safety assessment
- Koc at 20 °C:
- 59 400
Additional information
[LogKoc: 4.77]
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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