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EC number: 254-754-2 | CAS number: 40027-38-1
- 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:
- 2018-05-16
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- according to guideline
- Guideline:
- other:
- Version / remarks:
- similar to the preliminary test in OECD 105 water solubility
- Principles of method if other than guideline:
- The substance has been mixed with 1-octanol saturated with water (using slow-stirring conditions for at least 24 h, Milli-Q water was used) at different ratios in order to determine the octanol solubility. It is assumed that there are no changes in volume when mixing 1-octanol with the test substance.
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 3.95
- Temp.:
- 20 °C
- pH:
- ca. 7
- Conclusions:
- The partition coefficient of the test substance was determined to 3.95
- Executive summary:
The octanol solubility of ´N-(Oleyl alkyl)- 1,3-propanediamine mono oleates ´ is determined to be 720 g/L. The aqueous solubility is determined to 0.080 gram/litre mixture (from ANL 18034). Log Pow is calculated as 3.95
Reference
Description of key information
The partition coefficient of the test substance was determined to 3.95
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.95
- at the temperature of:
- 20 °C
Additional information
The substance is a salt of (Z)-N-9-octadecenylpropane-1,3-diamine (Oleyl-diamine, CAS 7173-62-8) and Oleic acid (CAS 112-80-1),which dissociates into its components under aqueous conditions.
It should be noted that also both components of the salt individually have surface active properties, and form micelles rather than clear aqueous solutions. Also, both the structures appear under physiological conditions in a charged form in water solution: oleyl-diamine as cationic structure, and oleic acid as an anionic structure.
For such surface-active structures, the standard test methods for water solubility and octanol/water partitioning are generally not suitable. For the free water solubility in general the CMC (critical micelle concentration as approximation for the maximum concentration where the substance is still in free solution) is provided rather than the amount that can be added while still showing a clear solution. For Pow of such substances, the separate solubility in water and in octanol can be used, where the use of the CMC for water solubility will result to the most conservative result (i.e. the highest Pow value):
CMC = 0.080 g/L (pH 6.5, 20°C, at 1 g/L); octanol solubility = 720 g/L
logPow = log(0.080/720) = 3.95
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