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EC number: 222-581-1 | CAS number: 3539-43-3
- 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:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The substance is surface active and conventional methods are not applicable.
- Reason / purpose for cross-reference:
- other: Verification of surface active properties
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- ColaFax CPE Lot# 59554517 (referred to as 17 throughout)
ColaFax CPE is hexadecyl hydrogen phosphate (or cetyl phosphate) - Analytical method:
- titration method
- Type:
- log Pow
- Remarks on result:
- not determinable because of methodological limitations
- Details on results:
- Solubility: The water solubility of this substance was tested by attempting to dissolve 5 mg in 2 L of water. After approximately 1 minute of shaking and 5 minutes of sonication, it showed no indication of dissolving. This would have yielded a 0.016 mM solution, which is below the minimum recommended concentration of 0.1 mM for this method..
Sample 17 was then attempted to be dissolved in 4 different co-solvent systems of water-miscible organic solvents (40% w/w) and water at the minimum concentration of 0.1 mM. The organic solvents used were methanol, tetrahydrofuran, acetonitrile, and 1,4-dioxane. Sample 17 was not soluble in any of the systems tried. Therefore, this method is not appropriate for this sample. - Conclusions:
- Partition coefficient for hexadecyl dihydrogen phosphate could not be deterined using standard flask shake method becuase of the insolubility of the substance in water and other solvents. Therefore, this method does not appear to be suitable for analysis of this sample.
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- EPISuite
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- according to guideline
- Guideline:
- other: EPISuite assessment
- Principles of method if other than guideline:
- Assessment of structure using EPISuite
- GLP compliance:
- no
- Type of method:
- other: EPISuite assessment
- Type:
- log Pow
- Partition coefficient:
- 6.65
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation by EPISuite
- Conclusions:
- The experimental determination of the partition coefficient was technically not feasible. Thus the partition coefficient was calculated using EPISuite program by inputting the SMILES notation of the substance and along with other known parameters. It was calculated to be 6.65 at 25 °C.
Referenceopen allclose all
Description of key information
Partition coefficient for hexadecyl dihydrogen phosphate could not be deterined using standard flask shake method becuase of the insolubility of the substance in water and other solvents.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.65
- at the temperature of:
- 25 °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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.