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EC number: 606-883-4 | CAS number: 219921-94-5
- 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 07 June 1999
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was conducted in accordance with several internationally established guidelines (OECD, EEC, EPA guidelines, see below).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 999
- Report date:
- 1999
Materials and methods
Test guidelineopen allclose all
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (S)-3-Methyl-1-(2-piperidine-1-phenyl)butylamine compound with N-Acetyl-L-glutamic acid
- EC Number:
- 606-883-4
- Cas Number:
- 219921-94-5
- Molecular formula:
- C16-H26-N2 x C7-H11-N-O5
- IUPAC Name:
- (S)-3-Methyl-1-(2-piperidine-1-phenyl)butylamine compound with N-Acetyl-L-glutamic acid
- Test material form:
- other: solid
- Details on test material:
- - Name of test material (as cited in study report): AGEE 623 Glutaminate; L-Glutamic acid, N-acetyl, compd. with (S)-alpha-(2-methylpropyl)-2-(1-piperidinyl)-benzenemethanamine
- Physical state: solid white powder
- Analytical purity: 100% measured over area (4% of (R)-(-)-enantiomer
- Lot/batch No.: T29725
- Expiration date of the lot/batch: 31 december 1999
- Stability under test conditions: pure: see expiry date
- Storage condition of test material: in original container, at room temperature, in the dark
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- > 6
- Temp.:
- 20 °C
Any other information on results incl. tables
HPLC Method
The solution of the test substance was injected five times and the solution of the reference compounds were injected five times each at one concentration level. Based on the chromatographic data, AGEE 623 Glutaminate was considered to be stable during the test procedure.
The partition coefficient was calculated based on a calibration curve using 7 reference compounds. The difference between the five measurements of the reference mixture is less than the given limit of 0.1 log P units, therefore the study is considered to be valid.
The temperature of the mobile phase was thermostated to 20°C +-1°C during the HPLC measurement.
The linearity of the analytical method was proved in the log Pow range from 1.9 to 5.7.
The chromatograms obtained for the sample solution show that the partition coefficient of AGEE 623 Glutaminate was determined to be log Pow > 6.
Additional to the procedure as described above, further measurements were performed to confirm the results obtained. The sample solution of AGEE 623 Glutaminate and the triphenylamine reference solution were measured by HPLC analysis using 100% acetonitrile as mobile phase for the elution. The higher retention time measured for AGEE 623 Glutaminate proved that the partition coefficient of the test substance AGEE 623 Glutaminate was determined to be log Pow > 6
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (n-Octanol / Water) of AGEE 623 Glutaminate was determined to be log Pow > 6 at 20°C.
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