Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 607-384-4 | CAS number: 244768-32-9
- 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:
- 2016-05-23 to 2016-05-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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 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)
- Remarks:
- See study report
- 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: I15FC2164
- Expiration date of the lot/batch: 2017-06-23 (retest date)
- Purity test date: 2015-07-01
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at room temperature
- Stability under test conditions: Not indicated - Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Acquity UPLC system (Waters, Milford, MA, USA)
- Type: Acquity UPLC TUV 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: 210 nm (UV)
- Column temperature: 35°C ± 1°C
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 1000 mg/L stock solution of the test item was 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: combined reference solution containing 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 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
- Key result
- Type:
- Koc
- Value:
- 1 600 dimensionless
- pH:
- 7
- Key result
- Type:
- log Koc
- Value:
- 3.21 dimensionless
- pH:
- 7
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration:
Formamide (t0): tr1 = 0,696 min; tr2= 0,695 min
Acetanilide: tr1 = 0,92 min; tr2= 0,919 min
Monuron: tr1 = 1,139 min; tr2= 1,137 min
2,5-Dichloroaniline: tr1 = 1,31 min; tr2= 1,307 min
Naphthalene: tr1 = 1,526 min; tr2= 1,521 min
Benzoic acid phenylester: tr1 = 1,806 min; tr2= 1,799 min
Fenthion: tr1 = 2,454 min; tr2= 2,443 min
Phenanthrene: tr1 = 2,714 min; tr2= 2,7 min
4,4’-DDT: tr1 = 6,937 min; tr2= 6,896 min
Test item: tr1 = 1,848 min; tr2= 1,846 min
- Details of fitted regression line (log k' vs. log Koc): log k’ = 0.3269 log Koc + -0.831 (r = 0.98, n = 16).
- Average retention data for test substance: 1.847 min - Validity criteria fulfilled:
- yes
- Conclusions:
- The determination of the adsorption coefficient (Koc) of JNJ-4754724-AAA (T002488) was performed according to the OECD guideline for the testing of chemicals No. 121, estimation of the adsorption coefficient (Koc) on soil and sewage sludge using HPLC, January 2001 and the EEC Directive 2001/59, C.19. UPLC (Ultra-high performance liquid chromatography) was used instead of HPLC. The Koc and log Koc values of the test item at neutral pH were 1600 and 3.21 respectively.
Reference
The following pKa values in the logarithm range of 1 - 14 for acidic and basic groups in the molecular structure of the test item were calculated using the Perrin calculation method. Based on the calculations, the UPLC analysis was performed at neutral pH.
Acidic groups: none
Basic group; Pyrimidinium pKa= 1.5
The equation of the regression line was: log k’ = 0.3269 X log Koc + -0.831 (r = 0.98, n = 16).
Description of key information
The determination of the adsorption coefficient (Koc) of JNJ-4754724-AAA (T002488) was performed according to the OECD guideline for the testing of chemicals No. 121, estimation of the adsorption coefficient (Koc) on soil and sewage sludge using HPLC, January 2001 and the EEC Directive 2001/59, C.19. UPLC (Ultra-high performance liquid chromatography) was used instead of HPLC.
The Koc and log Koc values of the test item at neutral pH were 1.6 x 103 and 3.21 respectively.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 600
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.