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EC number: 261-351-5 | CAS number: 58594-72-2
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 December 2004 - 27 January 2005
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: CIPAC ''Solubility in organic solvents'', 1998
- Deviations:
- yes
- Remarks:
- Samples were incubated for 6h and 12h to ensure accuracy of results for xylene (decreasing staturation concentration with increasing incubation time was observed for p-xylene)
- Qualifier:
- according to guideline
- Guideline:
- other:
- Version / remarks:
- OECD Guidelines for Testing of Chemicals, Guideline No. 105, "Water Solubility", adopted July 27, 1995
- Qualifier:
- according to guideline
- Guideline:
- other:
- Version / remarks:
- EEC directive 92/69, Annex V, Part A, Methods for the determination of physico-chemicals properties, A6 "Water Solubility", 1992
- GLP compliance:
- yes (incl. QA statement)
- Specific details on test material used for the study:
- - Batch number:
ZR027180PUH301
- Purity: 99.6% (w/w)
- Expiration date: 18 October 2008
- Storage conditions: in original container, at room temperature, in the dark - Medium:
- methanol
- Solubility:
- > 250 g/L
- Temp.:
- 20 °C
- Medium:
- acetone
- Solubility:
- 9.538 g/L
- Medium:
- ethyl acetate
- Solubility:
- 0.084 g/L
- Medium:
- other: heptane
- Solubility:
- < 10 mg/L
- Medium:
- other: dichloromethane
- Solubility:
- 9.935 g/L
- Medium:
- other: xylene
- Solubility:
- 0.022 g/L
- Details on results:
- Preliminary test
The solubility of the test item in methanol was estimated to be higher than >250 g/L. Therefore, no main test using the flask method was performed.
The solubility of the test item in dichloromethane, acetone, ethyl acetate, n-heptane and p-xylene was lower than 250 g/L and for this reason, the solubility of the test item in these solvents was determined using the flask method (main test).
Main test
The saturation concentrations were qualified after incubation periods of 72h, 48h and 24h. For xylene additional saturation concentrations after incubation times of 12hh and 6h were determined.
For quantification an HPLC method was used.
The solubility on n-heptane was below the limit of quantification of 10 mg/L.
For dichloromethane, acetone and ethyl acetate no differences higher than 12% were found between the relevant samples (72h, 48h, 24h). Therefore, the study is considered to be valid.
For p-xylene a decreasing saturation concentration was observed with increasing incubation time. The maximum saturation concentration was measured after incubation time of 6h and 12h. Prolongation of incubation time resulted in lower concentrations. Therefore, the saturation concentration of the test item in p-xylene was determined after incubation period of 6h and 12h. No differences higher than 12% were found between the relevant samples.
The results are shown in the table above. - Conclusions:
- Based on the preliminary test, the solubility of the test item in methanol was estimated to be higher than >250 g/L, but lower than 250 g/L for acetone, dichlorometane, n-heptane, p-xylene and ethyl acetate. For the latter solvents, the solubility was determined using the shake flask method to be 9.538 g/L, 9.935 g/L, <10 mg/L, 0.022 g/L and 0.084 g/L, respectively.
Reference
Description of key information
Based on a key study (K1, Meinerling, 2005) according to CIPAC MT 181, EC A.6 and OECD 105, the solubility of the test item was estimated to be higher than >250 g/L in methanol, but lower than 250 g/L in acetone, dichlorometane, n-heptane, p-xylene and ethyl acetate based on a preliminary test using visual observation. For the latter solvents, the solubility was determined using the shake flask method to be 9.538 g/L, 9.935 g/L, <10 mg/L, 0.022 g/L and 0.084 g/L, respectively.
Key value for chemical safety assessment
Additional information
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