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EC number: 207-321-7 | CAS number: 462-06-6
- 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
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017-05 24 to 2017-05-24
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- 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))
- Deviations:
- no
- 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
- Qualifier:
- according to guideline
- Guideline:
- other: European Commission (EC), Technical Guidance Document on Risk Assessment
- Version / remarks:
- European Commission (EC), Technical Guidance Document on Risk Assessment Part III,
Chapter 4.3: “Use of (Quantitative) Structure Activity Relationships ((Q)SARs) - Soil and
Sediment Sorption”, 2003. - Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD guideline 117: "Partition coefficient (n-octanol/water), high performance liquid (HPLC) method"
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: HPLC column
Test material
- Reference substance name:
- Fluorobenzene
- EC Number:
- 207-321-7
- EC Name:
- Fluorobenzene
- Cas Number:
- 462-06-6
- Molecular formula:
- C6H5F
- IUPAC Name:
- fluorobenzene
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material:
* batch: M15FB2364
* test item number: 207617/A
- Expiration date of the lot/batch: 2017-08-12 (retest date)
- Purity: 100% (based on GC)
- Puriy test date: 2017-06-14 (certificate release date)
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:At room temperature
- Stability under test conditions: Stable - Radiolabelling:
- no
Study design
- Test temperature:
- 35°C ± 1°C
HPLC method
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Acquity UPLC system (Waters, Milford, MA, USA)
- Type: Acquity UPLC PDA detector (Waters)
- Type, material and dimension of analytical (guard) column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm (Waters)
- Detection system: 210 nm (UV)
MOBILE PHASES
- Type: 55/45 (v/v) methanol/water
- Solutes for dissolving test and reference substances:
* Solution of the unretained compound:
A 5.0 g/l stock solution of formamide (99.2%, [75-12-7], Alfa Aesar, Karlsruhe, Germany) in methanol was used. The stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/water.
The formamide blank solution was 55/45 (v/v) methanol/water.
* Reference substance solutions:
Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. The stock solutions were diluted to obtain an end solution of 55/45 (v/v) methanol/water.
The blank solution for the mixture of reference substances was 55/45 (v/v) methanol/water.
* Test solution:
A 2000 mg/L stock solution of the test item was prepared in methanol. In order to dissolve the test item the stock solution was ultrasonicated for 5 minutes. The stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/water. The final concentration of the test item solution was 20.0 mg/L.
The test item blank solution was 55/45 (v/v) methanol/water.
REFERENCE SUBSTANCES
- Identity: combined reference solution containing Acetanilide, Monuron, 2,5-Dichloroaniline, Napthalene, Fenthion, Phenanthrene and 4,4'-DDT
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 20 mg/L.
- Quantity of reference substances: 1 g/L in methanol
- Intervals of calibration: no data
REPETITIONS
- Number of determinations: 2 times (test item solution), 1 time (blank solution)
EVALUATION
- Calculation of capacity factors k': from retention time of reference items, the test item, and then on-sorbed chemical item
- Determination of the log Koc value: a correlation of log k' versus log Koc of the reference items is plotted using linear regression - the log k' value of the test item is then used to calculate its log Koc value
Batch equilibrium or other method
- Analytical monitoring:
- no
Results and discussion
Adsorption coefficientopen allclose all
- Key result
- Type:
- Koc
- Value:
- ca. 59 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Key result
- Type:
- log Koc
- Value:
- ca. 1.77 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
Results: HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration:
* Formamide (t0):
tr,1: 0.662; tr,2: 0.663
* Acetanilide:
tr,1: 0.883; tr,2: 0.885
* Monuron:
tr,1: 1.093; tr,2: 1.096
* 2,5-Dichloroaniline:
tr,1: 1.250; tr,2: 1.251
* Naphtalène:
tr,1: 1.461; tr,2: 1.463
* Fenthion:
tr,1: 2.345; tr,2: 2.345
* Phenanthrene:
tr,1: 2.592; tr,2: 2.594
* 4,4'-DDT:
tr,1: 6.546; tr,2: 6.540
- Details of fitted regression line (log k' vs. log Koc): log k’ = 0.325 x log Koc – 0.831 (r = 0.98, n = 14)
- Average retention data for test substance: 1.031 minutes
Results: Batch equilibrium or other method
- Transformation products:
- not measured
Any other information on results incl. tables
Calculation of pKa values
No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithm range of 1 - 14 were calculated.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of JNJ-7820254-AAA (Fluorobenzene). Based on this test, the Koc and log Koc values of the test item at neutral pH were 59 and 1.77 respectively. Results of this study are reliable without restrictions.
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