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EC number: 911-418-6 | CAS number: 55965-84-9
- 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
Solubility in organic solvents / fat solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- other: expert statement
- Adequacy of study:
- key study
- Study period:
- 2007-07-06
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Scientifically verfied data
- Qualifier:
- no guideline followed
- GLP compliance:
- no
- Key result
- Remarks on result:
- not measured/tested
- Remarks:
- When dissolved as CIT/MIT mixture in a organic solvents, the solubility of the compounds MIT and CIT will not change compared to the values for the seperate compounuds.
- Conclusions:
- When dissolved as CIT/MIT mixture in a organic solvents, the solubility of the compounds MIT and CIT will not change compared to the values for the seperate compounuds.
- Executive summary:
The solubility of the single compounds CIT and MIT are given in the studies performed by Wherle and Wielpütz for several organic solvents. As well as for the solubility in water it is assumed that the mixture of the two substances is not interacting in such way that will lower the solubility in organic solvents.
The solubility of the mixture of the two compounds is similar to that of the seperate substances.
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: EU method A.6 (analogous)
- Deviations:
- yes
- Remarks:
- other solvent, 21°C instead of 20°C
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD 105 (analogous)
- Deviations:
- yes
- Remarks:
- other solvent, 21°C instead of 20°C
- Principles of method if other than guideline:
- Method: analogous OECD Guide-line 105 (flask-method)
- GLP compliance:
- yes (incl. QA statement)
- Medium:
- other: n-heptane
- Solubility:
- 14.5 g/L
- Temp.:
- 21 °C
- Medium:
- other: xylene
- Solubility:
- 393 g/L
- Temp.:
- 21 °C
- Test substance stable:
- yes
- Details on results:
- Degradation products: yes
- Conclusions:
- The solubility of 5-chloro-2-methyl-2H-isothiazol-3-one in n-heptane and xylene is high (14.5 and 393 g/L, respectively).
- Executive summary:
The solubility of 5 -Chloro-2-methyl-2H-isothiazol-3 -one (cited as CIT in the study report) was investigated in a study analogous to OECD guideline 105 (which is the guideline for water solubility). A saturated solution of the test substance in n-heptane and xylene at 21°C was prepared, and the concentration of the test article in the supernatant determined by headspace-gas chromatography with flame ionisation detection.
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1996-11-21 untill 1996-12-09
- Reliability:
- 1 (reliable without restriction)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: EU method A.6 (analogous)
- Deviations:
- yes
- Remarks:
- other solvent, 21°C instead of 20°C
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD 105 (analogous)
- Deviations:
- yes
- Remarks:
- other solvent, 21°C instead of 20°C
- Principles of method if other than guideline:
- Method: analogous OECD Guide-line 105 (flask-method)
- GLP compliance:
- yes (incl. QA statement)
- Medium:
- other: n-heptane
- Solubility:
- 1.46 g/L
- Temp.:
- 21 °C
- Medium:
- other: xylene
- Solubility:
- 143.6 g/L
- Temp.:
- 21 °C
- Test substance stable:
- yes
- Details on results:
- Degradation products: yes
- Conclusions:
- The solubility of 2-methyl-2H-isothiazol-3-one in n-heptane and xylene is high (1.46 and 144 g/L, respectively).
- Executive summary:
The solubility of 2-methyl-2H-isothiazol-3 -one (cited as MIT in the study report) was investigated in a study analogous to OECD guideline 105 (which is the guideline for water solubility). A saturated solution of the test substance in n-heptan and xylene at 21°C was prepared, and the concentration of the test article in the supernatant determined by headspace-gas chromatography with flame ionisation detection.
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline-conform study under GLP without deviations.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: EU method A.6 (analogous)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD 105 (analogous)
- Principles of method if other than guideline:
- water was exchanged to solvent
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- (statement not signed in draft report, no QA statement)
- Medium:
- acetonitrile
- Remarks:
- (no correction for purity)
- Solubility:
- > 974 - < 1 049 g/L
- Temp.:
- 10 °C
- Medium:
- acetonitrile
- Remarks:
- (no correction for purity)
- Solubility:
- > 3 696 - < 3 927 g/L
- Temp.:
- 30 °C
- Test substance stable:
- not determined
- Details on results:
- Initially dissolved CIT precipitated at 10°C.
- Conclusions:
- CIT is highly soluble in acetonitril.
- Executive summary:
The solubility of 5 -chloro-2 -methyl-2H-isothiazol-3 -one in acetonitril was determined in a study protocol analogous to the pre-test in OECD guideline 105. At 2 different temperatures, increasing amounts of solvent were added to to an exactly weighed amount of substance. The substance was stirred at the desired temperature and visually inspected for precipitates.
The solubility of CIT in acetonitrile was between 974 and 1049 g/L at 10°C, and between 3696 and 3927 g/l at 30°C.
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline-conform study under GLP without deviations.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: EU method A.6 (analogous)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: OECD 105 (analogous)
- Principles of method if other than guideline:
- water was exchanged to solvent
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- (statement not signed in draft report, no QA statement)
- Medium:
- acetonitrile
- Remarks:
- (no correction for purity)
- Solubility:
- > 1 359 - < 1 510 g/L
- Temp.:
- 10 °C
- Medium:
- acetonitrile
- Remarks:
- (no correction for purity)
- Solubility:
- > 6 712 - < 7 672 g/L
- Temp.:
- 30 °C
- Test substance stable:
- not determined
- Details on results:
- Initially dissolved MIT precipitated at 10°C.
- Conclusions:
- MIT is highly soluble in acetonitril.
- Executive summary:
The solubility of 2 -methyl-2H-isothiazol-3 -one in acetonitril was determined in a study protocol analogous to the pre-test in OECD guideline 105. At 2 different temperatures, increasing amounts of solvent were added to to an exactly weighed amount of substance. The substance was stirred at the desired temperature and visually inspected for precipitates.
The solubility of MIT in acetonitrile was between 1359 and 1510 g/L at 10°C, and between 3696 and 6712 g/l at 30°C.
Referenceopen allclose all
at 10°C: 1.36 g CIT not soluble upon addition of 1.3 ml acetonitrole; dissolved at 1.4 ml.
at 30°C: 3.14 g CIT not soluble upon addition of 0.8 ml acetonitrole; dissolved at 0.85 ml.
at 10°C: 1.36 g MIT not soluble upon addition of 0.9 ml acetonitrole; dissolved at 1.0 ml.
at 30°C: 5.37 g MIT not soluble upon addition of 0.7 ml acetonitrole; dissolved at 0.8 ml.
Description of key information
Key value for chemical safety assessment
- Solubility in organic solvents at 20°C:
- 22.5 g/L
Additional information
C(M)IT/MIT (3:1): (purity = 95.78-95.51%) (DOW)
At 25°C: n-Hexane: 22.5 g/L
Ethyl acetate: >763 g/L (not saturated)
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