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EC number: 283-381-8 | CAS number: 84604-96-6
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
Materials and methods
Test guideline
- 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))
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
Test material
- Reference substance name:
- Bis[bis(3,5,5-trimethylhexyl)dithiocarbamate-S,S']zinc
- EC Number:
- 283-381-8
- EC Name:
- Bis[bis(3,5,5-trimethylhexyl)dithiocarbamate-S,S']zinc
- Cas Number:
- 84604-96-6
- Molecular formula:
- C38H76N2S4Zn
- IUPAC Name:
- bis({[bis(3,5,5-trimethylhexyl)carbamothioyl]sulfanyl})zinc
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
HPLC method
- Details on study design: HPLC method:
- Instrument Acquity UPLC system
(Waters, Milford, MA, USA)
Detector Acquity UPLC TUV detector (Waters) or
Acquity UPLC PDA detector (Waters)
Column Acquity UPLC HSS Cyano,
100 mm 2.1 mm i.d., dp = 1.8 µm (Waters)
Column temperature 35°C 1°C
Injection volume 5 µL
Mobile phase
Solvent A methanol
Solvent B water
Gradient
Time
[minutes] Solvent A
[%] Solvent B
[%]
0 55 45
12 55 45
13 100 0
17.5 100 0
18 55 45
20 55 45
Flow 0.4 mL/min
UV detection 210 nm (unretained compound, reference substance and test solution)
285 nm (test solution)
Batch equilibrium or other method
- Details on sampling:
- Preparation of Solutions
Solution of the Unretained Compound
A 5 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 Solution
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.
Text Table 3
Reference Substances
Reference substance Purity CAS number Supplier log Koc 1
Acetanilide 99.8% 103-84-4 Sigma-Aldrich 1.26
Monuron 99.9% 150-68-5 Sigma-Aldrich 1.99
2,5-Dichloroaniline 99.9% 95-82-9 Merck 2.55
Naphthalene 99.5% 91-20-3 Acros Organics 2.75
Benzoic acid phenylester 99.9% 93-99-2 Sigma-Aldrich 2.87
Fenthion 97.5% 55-38-9 Sigma-Aldrich 3.31
Phenanthrene 98.1% 85-01-8 Acros Organics 4.09
4,4’-DDT 98.7% 50-29-3 Sigma-Aldrich 5.63
1 values according to the OECD 121 guideline based on soil adsorption data
Acros Organics, Geel, Belgium
Merck, Darmstadt, Germany
Sigma-Aldrich, Steinheim, Germany
Test Solution
A 1000 mg/L stock solution of the test item was prepared in acetonitrile. The solution was ultrasonicated for 5 or 30 minutes. The stock solution was 2 fold diluted with acetonitrile. The final concentration of the test item solution was 500 mg/L.
The test item blank solution was acetonitrile.
Sample Injections
Reference substance and test item solutions were injected in duplicate. Blank solutions were analyzed by single injection.
Results and discussion
Adsorption coefficient
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- > 5.6
- pH:
- 7
Results: HPLC method
- Details on results (HPLC method):
- Koc HPLC Method
UPLC-UV chromatograms of the test item solution and the corresponding blank are shown in Figure 1 and Figure 2, respectively. In the chromatogram of the test item solution, peaks with a retention time of about 15 minutes were observed. Under the same analytical conditions, the retention time of 4,4’-DDT (log Koc = 5.6) was 5.8 minutes.
Since there was a difference in responses between the duplicate injection of the test item solution extra tests were performed. The tests showed that the test item most probably precipitates on top of the column when using an aqueous mobile phase. The test item only elutes in 100% organic mobile phase.
From the tests performed, it was concluded that the log Koc of test item was > 5.6
(Koc > 4.3 x 10E5).
Results: Batch equilibrium or other method
- Transformation products:
- not measured
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 Zinc diisononyl dithiocarbamate.
The log Koc value of the test item at neutral pH was >5.6.
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