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EC number: 907-713-4 | CAS number: -
- 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
- Study period:
- from July 17, 2006 to August 28, 2006
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 1989
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.7
- Temp.:
- 35 °C
- Remarks on result:
- other: peak 1 at retention time 11.565
- Type:
- log Pow
- Partition coefficient:
- 4.9
- Temp.:
- 35 °C
- Remarks on result:
- other: peak 2 at retention time 12.351
- Details on results:
- The determination was performed at 35°C (temperature of the column), but the value obtained can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temparature in the same way.
- Conclusions:
- The chromatogram shows two peaks at retention times 11.565 and 12.351 minutes, that can be assigned to the n-alpha and n-beta isomers respectively and correspond to partition coefficients (log value) of 4.7 and 4.9.
Therefore:
Partition coefficients n-octanol/water of RALDEINE A:
n-alpha isomer log Pow = 4.7
n-beta isomer log Pow = 4.9
The partition coefficient estimated with KOWWIN software is 4.78. This is in relative good agreement with the experimental value. - Executive summary:
The partition coefficient n-octanol/water of RALDEINE A was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD guidelines for testing of chemicals, Method no. 117.
The result is:
Partition coefficients n-octanol/water of RALDEINE A:
n-alpha isomer log Pow = 4.7
n-beta isomer log Pow = 4.9 .
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 20-September-2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The information is derived from a reliable non-GLP in-house study according to OECD TG 117 (HPLC).
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 4.7 - <= 4.9
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not provided in the study report
- Details on results:
- The pH is assessed not to be critical based on the absence of acidic and basic structural features of Methyl Ionone Alpha Extra and in its molecular structure.
- Conclusions:
- The partition coefficient has been determined as log P = 4.7-4.9 at 25°C in a study equivalent to OECD Guideline 117 (HPLC method) in a reliable non-GLP study.
- Executive summary:
The partition coefficient has been determined as log P = 4.7-4.9 at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method).
Referenceopen allclose all
Description of key information
In the key study, the partition coefficient n-octanol/water of RALDEINE A was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD guidelines for testing of chemicals, Method no. 117.
The result is:
Partition coefficients n-octanol/water of RALDEINE A:
n-alpha isomer log Pow = 4.7
n-beta isomer log Pow = 4.9
Since the major isomer in the registration substance is the n-alpha isomer, the log Kow value of 4.7 has been chosen as the key value for the purpose of the environmental exposure assessment.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.7
- at the temperature of:
- 35 °C
Additional information
The partition coefficient has been determined on two commercial qualities of the registration substance; Raldeine A (Key study, Givaudan 2006) and Methyl Ionone Alpha Extra (Supporting study, IFF 2017). Both determinations were performed using the HPLC method (OECD Guideline 117 or equivalent) and give similar results.
The key study (Givaudan 2006) was performed according to OECD Guideline 117, under GLP. The HPLC chromatogram showed 2 peaks that were assigned to the n-alpha isomer and n-beta isomer. The determined partition coefficients (log value) were 4.7 and 4.9 respectively. Since the major isomer in the registration substance is the n-alpha isomer, the log Kow value of 4.7 has been chosen as the key value for the purpose of the environmental exposure assessment. Both values are considered in the environmetal hazard classification and PBT assessment.
The determination was performed at 35°C (temperature of the column), but the value obtained can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temparature in the same way.
In the supporting study (IFF, 2017), the partition coefficient was determined as log P = 4.7-4.9 at 25°C in a reliable non-GLP study equivalent to OECD Guideline 117 (HPLC method).
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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