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Diss Factsheets
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EC number: 212-714-1 | CAS number: 853-23-6
- 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
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017-05-18 to 2017-05-18
- 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
- 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:
- other: 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
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: HPLC column
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: M16GB2547
- Expiration date of the lot/batch: 01 July 2018 (retest date)
- Purity test date: 2016-08-28 (certificate of analysis release date)
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature - Radiolabelling:
- no
- Test temperature:
- column temperature 35°C ± 1°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Acquity UPLC system (Waters, Milford, MA, USA).
- Type: UPLC
- 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).
- Column temperature 35°C ± 1°C
- Detector: Acquity UPLC TUV detector (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, stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/water.
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. The stock solutions were diluted to obtain an end solution of 55/45 (v/v) methanol/water.
Blank solution for the mixture of reference substances was 55/45 (v/v) methanol/water.
* Test solution: 1000 mg/l stock solution of the test item prepared in methanol. 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 10.0 mg/l. The test item blank solution was 55/45 (v/v) methanol/water.
REFERENCE SUBSTANCES
- Identity: Acetanilide, Monuron, 2,5-Dichloroaniline, Napthalene, Benzoic acid phenylester, Fenthion, Phenanthrene and 4,4'-DDT
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10 mL/min
- 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 thenon-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 - Key result
- Type:
- log Koc
- Value:
- 4.78 dimensionless
- pH:
- 7
- Remarks on result:
- other: mean of 2 analyses
- Key result
- Type:
- Koc
- Value:
- 60 000 dimensionless
- pH:
- 7
- Details on results (HPLC method):
- - Retention times (tr,1 and tr,2) of reference substances used for calibration:
* Formamide (t=0):
tr,1: 0.678 min; tr,2: 0.677 min
* Acetanilide:
tr,1: 0.910 min.; tr,2: 0.911 min.
* Monuron:
tr,1: 1.136 min.; tr, 2: 1.137 min.
* 2,5-Dichloroaniline:
tr,1: 1.313; tr,2: 1.315 min.
* Naphtalene:
tr,1: 1.537 min.; tr,2: 1.539 min.
* Benzoic acid phenylester:
tr,1: 1.824 min; tr,2: 1.826 min.
* Fenthion:
tr,1: 2.496 min.; tr,2: 2.502 min.
* Phenanthrene:
tr,1: 2.769 min; tr,2: 2.775 min.
* 4,4'-DDT:
tr,1: 7.108 min; tr,2: 7.115 min.
- Details of fitted regression line (log k' vs. log Koc): slope = 0.327, intercept = -0.802, coefficient of regression = 0.98; equation: log k’ = 0.327 x log Koc – 0.802 (r = 0.98, n = 16).
- Average retention data for test substance: 4.560 min
- Koc for the test substance = 6.0 x 10^4 - Transformation products:
- not measured
- Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsoprtion-reference data was applied for the determination of the adsorption coefficient (Koc) of JNJ-83317-AAA (T008506). The mean log Koc of T008506 at neutral pH was determined to be 4.78 using the HPLC estimation method according to OECD guideline 121. The results of the test can be considered reliable without restriction.
Reference
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.
Description of key information
This endpoint is covered with a GLP-study (Ciric, 2017) performed according to standard test guideline OECD 121. The mean log Koc of T008506 was determined to be 4.78 using the HPLC estimation method. The partition coefficients in soil, sediment, suspended matter and raw sewage sludge were calculated from the Koc value and the fraction of organic carbon in the compartment as stipulated in the ECHA guidance Chapter 16 - Table R.16-11.
Key value for chemical safety assessment
- Koc at 20 °C:
- 60 000
Additional information
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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