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EC number: 224-116-8 | CAS number: 4203-89-8
- 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:
- Experimental start date: 29 November 2016. Experimental completion date: 16 May 2017
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: 2-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethyl methacrylate (CAS 4203-89-8)
Appearance/physical state: extremely pale yellow slightly viscous liquid
Batch: 1609501020
Purity: 94.5%
Expiry date: 05 October 2017
Storage conditions: approximately 4 °C, in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.2
- Temp.:
- 20 °C
- pH:
- 9.6
- Conclusions:
- The partition coefficient of the test item has been determined to be 1.6 x 103, log10 Pow 3.2.
- Executive summary:
Partition Coefficient (n-octanol/water). 1.6 x 103, log10 Pow 3.2, using an HPLC estimation method designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Reference
Partition coefficient of sample
The retention times, capacity factor and log10Powvalue determined for the sample are shown in the following table:
Injection |
Retention time (mins) |
Capacity factor (k′) |
Log10k' |
Log10Pow |
1 |
3.246 |
1.141 |
5.73 x 10-2 |
3.2 |
2 |
3.226 |
1.128 |
5.24 x 10-2 |
3.2 |
Mean log10Pow: 3.2
Partition coefficient: 1.6 x 103
Discussion
The solvent choice for the test item sample solution matrix and the organic component of the mobile phase was acetonitrile, as opposed to the initial recommended solvent of methanol. This selection was a precautionary step to avoid possible alcoholysis / solvolysis of the test item prior to analysis. This was considered to have no impact on the integrity of the test as acetonitrile is also stated as a permitted alternative solvent within the regulatory guidelines and an acceptable correlation was achieved for the calibration reference standards during the determination.
The mobile phase was adjusted to pH 9.6 to ensure the test item was tested in its non-ionized form. The dissociation constant of the tertiary amine functional group was estimated to be 6.0 using the specialized predictive software pKa, Advanced Chemistry Development, Inc., Toronto, Canada, Algorithm Version v12.1.0.50374.
Based on the HPLC evaluation of test item sample solutions prepared in acetonitrile and water, the test item peak monitored was confidently attributed to the parent test item.
Description of key information
The measured log Kow is 3.2. This is supported by a calculated log Kow of 3.58.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.2
- at the temperature of:
- 20 °C
Additional information
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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