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EC number: 247-499-3 | CAS number: 26172-54-3
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 05 January 2018 to 08 February 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-Methyl-4-Isothiazolin-3-One Hydrochloride
- Cas Number:
- 26172-54-3
- Molecular formula:
- C4H5NOS.HCl
- IUPAC Name:
- 2-Methyl-4-Isothiazolin-3-One Hydrochloride
- Test material form:
- solid
- Details on test material:
- MIT.HCl as manufacured has a purity of >99.9% therefore the technical grade and analytical grade are identical
Constituent 1
- Specific details on test material used for the study:
- Batch Number 10013913, Purity >99.9%, Expiry Date 30 November 2018
Analytical grade and technical grade material are identical
Study design
- Analytical method:
- liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -0.44
- Temp.:
- 20 °C
- pH:
- ca. 2
- Remarks on result:
- other: The test item is acidic and has a pKa of 2.513. It is not technically feasible to investigate the effect of the pH as the buffering capacity is insufficient. Also the investigation of pH is not required as the pKa is outside the environmental range.
- Details on results:
- The test item is highly acidic and has a pKa of 2.513. Therefore it is not technically feasible to investigate the effect of the pH as the buffering capacity is insufficient. Additionally the investigation of pH is not required as the pKa is outside the environmental range.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient was calculated based on the results of the analytical determination. The test item content was determined by HPLC. The log Pow was calculated for each run.
The difference between the three different test variants was less than the given ± 0.3 log units. Therefore, the study can be considered to be valid.
According to this study the logarithmic partition coefficient (n-octanol/water) of the test item was determined to be -0.44 using the shake flask method at 20 °C. - Executive summary:
The partition coefficient was calculated based on the results of the analytical determination. The test item content was determined by HPLC. The log Pow was calculated for each run.
The difference between the three different test variants was less than the given ± 0.3 log units. Therefore, the study can be considered to be valid.
According to this study the logarithmic partition coefficient (n-octanol/water) of the test item was determined to be -0.44 using the shake flask method at 20 °C.
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