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EC number: 266-267-2 | CAS number: 66230-21-5
- 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:
- 28.07.2014 - 22.10.2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: CAS# 71077-09-3
Appearance/Physical State: Pale yellow liquid
Batch: 76200
Purity: 98.7%
Expiry Date: 30 April 2015
Storage Conditions: Room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 11.66
- Temp.:
- 20 °C
- pH:
- 10
- Conclusions:
- the estimated partition coefficient (log10 Pow) was calculated to be 11.66.
- Executive summary:
No determination was possible according to Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Methods 107 and 117 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and 13 April 2004 respectively, due to the following reasons:
• The test item contains two amine groups, which will be at least partially positively charged across the whole of the environmentally relevant pH range (5 to 9). Therefore, it was considered that the test item would be surface active in the environment. Surface active substances are not suitable for determination by the shake flask method.
• The HPLC method is generally only applicable for substances with a log10 Pow in the range 0 to 6. Furthermore, experience has shown that substances containing positively charged nitrogen species are inapplicable to the HPLC method due to secondary interactions with the inherent, free silanol groups on the stationary phase of the HPLC column.
Therefore, it was decided to estimate the partition coefficient using a computer-based atom fragment contribution method, KOWWIN, version 1.68 (September 2010), © 2000 U.S. Environmental Protection Agency.
Using this software, the estimated partition coefficient (log10 Pow) was calculated to be 11.66.
However, it must be noted that KOWWIN calculates the log10 Pow where both of the amine species are fully unionized. So, based on the estimated pKa’s of the amine species in the three main constituents, a fully unionized test item would only exist at about pH 10. Consequently, log10 Pow estimates consistent for an environment relevant pH (e.g. pH 7.0) would be somewhat less than the value shown above.
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 11.66
- 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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