Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 856-079-4 | CAS number: 55860-35-0
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 4-acetyl-2-methylbenzoic acid
- EC Number:
- 856-079-4
- Cas Number:
- 55860-35-0
- Molecular formula:
- C10H10O3
- IUPAC Name:
- 4-acetyl-2-methylbenzoic acid
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.14
- Temp.:
- 20 °C
- pH:
- 5
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.6
- Temp.:
- 20 °C
- pH:
- 6.8
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.5
- Temp.:
- 20 °C
- pH:
- 8.9
- Details on results:
- Experiment at pH 5.0: The equilibration concentrations of the test item in either of the two, clear, separated phases were all less than 1.782 g/L, i.e. less than 0.01 molar. In the experiment using the citrate buffer solution, the individual log Pow values of the six samples varied between 0.12 and 0.15, clearly falling within the requirement of ±0.3 log units.
Experiments at pH 7.0 and 9.0: In the experiment using the phosphate buffer solution, the individual log Pow values of the six samples varied between -1.56 and -1.57, clearly falling within the requirement of ±0.3 log units. In the experiment using the borax buffer solution, the individual log Pow values of the six samples varied between -2.52 and -2.54, clearly falling within the requirement of ±0.3 log units.
Applicant's summary and conclusion
- Conclusions:
- The octanol-water partition of the acidic test substance was found to be dependent on the pH value. The average values determined with the shake flask method were log Kow = 0.14 at pH 5.0, log Kow = -1.6 at pH 6.8 and log Kow = -2.5 at pH 8.9
- Executive summary:
The octanol-water partition coefficient of the substance was studied under GLP to OECD TG 107 (1995), using the shake flask method. Octanol of high purity ≥99.5% was used in the experiments. As the test substance is an acidic compound, the octanol / water partition coefficient is pH dependent, and was determined at three different pH values by using appropriate buffer solutions. Prior to use, both the 1-octanol and the respective buffer solutions had been mutually saturated with each other and then allowed to stand for sufficient time to allow phase separation. Three octanol / buffer solution volume ratios were investigated: the second having twice the ratio of the first and the third half the ratio of the first. Each of the three volume ratios was prepared in duplicate. At each tested pH value, an accurate volume of octanol was first filled into centrifuge tubes. The pH of the respective buffer solution was determined, and after the addition of the appropriate volume of buffer solution, the centrifuge tubes were sealed and rotated through 180 degrees about their transverse axis hundred times. The contents of the tubes were then equilibrated by continuous, gentle shaking for about twenty-four hours at 20.0 °C (± 0.5 °C) in a thermostatically controlled water bath. The tubes were then centrifuged for forty minutes at 48000 G in a centrifuge thermostated at 20 °C. Subsequently, an aliquot from each of the clear, separated, octanol and aqueous phases was removed by pipette from each centrifuge tube and analysed by a suitable analytical method (HPLC with external standard), for which accuracy (with regards to linearity, recovery, specificity and precision) was demonstrated. Additionally, the pH of each of the aqueous phases was also determined.
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.