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EC number: 222-908-8 | CAS number: 3658-77-3
- 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- The experiment was comparable to the guideline, but incomplete. Therefore, validation applies with restrictions.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- yes
- Remarks:
- single octanol/water ratio
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.95
- Temp.:
- 20 °C
- pH:
- 2.5
- Type:
- log Pow
- Partition coefficient:
- -0.133
- Temp.:
- 20 °C
- Remarks on result:
- other: log D (pH unspecified)
- Conclusions:
- The substance has low potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow <4).
- Executive summary:
The publication describes determination of partition coefficient as preliminary work to other main study. The procedure is similar to the OECD guideline, shake-flask method; however the experiment was incompletely performed, with only one octanol/water ratio.
As the substance is ionisable, testing was performed both with pure water, and with buffer at pH 2.5 to assess the non-ionised form. Assays were conducted at 20°C, with LC analysis.
The log Kow (i.e. non-ionised) was determined to be 0.95; a pH-dependent logD was mesured as -0.133, but the pH of the aqueous pure water phase was not specified.
Reference
Partition coefficient of furaneol between water and 1-octanol was determined as 0.74 ±0.02 (20°C, n = 3), so the Log D was −0.133 ±0.009.
When the partition was carried out between 0.1 M phosphate buffer (pH 2.5) and 1-octanol where furaneol was in neutral format, Log P was determined as 0.95 ±0.04 (20°C, n = 3). It should be noted that Log D and Log P may vary according to the conditions under which they were measured and the choices of buffer, pH, and ionic strength etc.
Description of key information
The substance has low potential for bioaccumulation, according to Regulation (EC) No.1272/2008 (CLP) criteria for classification in aquatic chronic toxicity hazard class (log Kow <4).
It should also be of no concern for PBT assessment.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.95
- at the temperature of:
- 20 °C
Additional information
No fully guideline-compliant study is available. However, a publication was identified including experimental determination of the partition coefficient, performed similarly as described in the flask method. Despite restrictions due to incomplete procedure, it was considered as reliable. Therefore the result is retained as key data.
It should be noted that the logKow value given relates, according to the definition, to the non-ionised form; however, considering a pKa of 8.56, the value of 0.95 is considered as a worst-case for bioaccumulation potential, and relevant for environmental assessment in acidic media only. In neutral or basic media, where under ionised form, a lower value is anticipated.
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.
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