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Diss Factsheets
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EC number: 251-528-5 | CAS number: 33454-82-9
- 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
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species: fish
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance has a low potential for bioaccumulation based on log Kow <=3
Cross-reference
- Reason / purpose for cross-reference:
- data waiving: supporting information
Reference
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 27 November 2006 to 27 November 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- The study was performed with HPLC method, but a limit test was performed instead of a full test. Furthermore, one reference item was used instead of six as specified in the Guidelines. So it cannot allow full validation compared to OECD117/EC A8 guidelines.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- yes
- Remarks:
- Only one reference item was used instead of six as specified in the Guideline. A limit test was performed instead of a full test, the retention of the test item was compared to the retention of a reference item.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- yes
- Remarks:
- Only one reference item was used instead of six as specified in the Guideline. A limit test was performed instead of a full test, the retention of the test item was compared to the retention of a reference item.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2005-06-09
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- pH:
- 1
- Conclusions:
- The test item was found to have a log10Pow value of less than 0.3
- Executive summary:
The determination of the partition coefficient was performed according to Method A.8 of Commission Regulation No 440/2008 of 30 May 2008, Method 117 of OECD guidelines for the Testing of Chemical and GLP.Only one reference item was used instead of six as specified in the Guidelines and a limit test was performed instead of a full test. Indeed, the retention time of the test item wasn't calculated and then used to determined the partition coefficient. In fact, the retention of the test item was compared to the retention of a reference item.
Partition coefficients in the range of log10Powbetween 0 and 6 can be estimated using high performance chromatography (HPLC). This is performed on columns containing hydrocarbon chains (e.g. C8, C18) chemically bound onto silica. The chemicals injected onto the column move along it by partitioning between the mobile solvent phase and the hydrocarbon stationary phase, their retention being proportional to their hydrocarbon-water partition coefficient. In this study a limit test was performed, a low log10Powvalue was anticipated.
The test item was found to elute before 2 -butanone, indicating a log10Powvalue of less than 0.3.
Preliminary estimation results:
Structure used for the estimation: C(F)(F)(F)S(=O)(=O)O
The results of KOWWIN estimation are shown in the following table:
Number |
Log10Powfragment description |
Coefficient |
Value |
1 |
-C, aliphatic carbon |
0.9723 |
0.9723 |
3 |
-F, aliphatic attachment |
-0.0031 |
-0.0093 |
1 |
-SO2-OH |
-3.1580 |
-3.1580 |
1 |
-SO-C, structure correction |
1.4790 |
1.4790 |
|
Equation correction |
|
0.2290 |
Estimated log10Pow = -0.49
Definitive test results:
Under these analytical conditions, the test item was found to elute before 2 -butanone, indicating a log10Pow value of less than 0.3.The chromatogram of 2 -butanone and of the test item are shown in Attachment1.
Data source
Materials and methods
Results and discussion
Applicant's summary and conclusion
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.