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EC number: 700-414-8 | CAS number: 23328-71-4
- 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- other: observations and calculation using software
- Adequacy of study:
- key study
- Study period:
- 14, 18 September 2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 007
- Report date:
- 2007
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Principles of method if other than guideline:
- The calculation was performed using computer based specialist estimation software WSKOW, version 1.41, © 2000, U.S. Environmental Protection Agency.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 30 August 2005 Date of Signature: 21 November 2005
- Type of method:
- flask method
Test material
- Reference substance name:
- trimethyl[3-(octadecyloxy)propyl]azanium chloride
- EC Number:
- 700-414-8
- Cas Number:
- 23328-71-4
- Molecular formula:
- C24H52ClNO
- IUPAC Name:
- trimethyl[3-(octadecyloxy)propyl]azanium chloride
- Reference substance name:
- 1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride
- IUPAC Name:
- 1-Propanaminium, N,N,N-trimethyl-3-(octadecyloxy)-, chloride
- Details on test material:
- - Name of test material (as cited in study report): 3-Octadecyloxypropyl-N,N,N-trimethylammonium chloride
- Molecular formula (if other than submission substance): Not applicable
- Molecular weight (if other than submission substance): Not applicable
- Smiles notation (if other than submission substance): Not applicable
- InChl (if other than submission substance): Not applicable
- Structural formula attached as image file (if other than submission substance): Not applicable
- Substance type: white solid
- Physical state: solid
- Analytical purity: Not reported
- Impurities (identity and concentrations): Not reported
- Composition of test material, percentage of components: Not reported
- Isomers composition: Not reported
- Purity test date: Not reported
- Lot/batch No.: Exp. I-070518
- Expiration date of the lot/batch: Not reported
- Radiochemical purity (if radiolabelling): Not applicable
- Specific activity (if radiolabelling): Not applicable
- Locations of the label (if radiolabelling): Not applicable
- Expiration date of radiochemical substance (if radiolabelling): Not applicable
- Stability under test conditions: Not reported.
- Storage condition of test material: room temperature in the dark
- Other: Not reported.
Constituent 1
Constituent 2
Results and discussion
Water solubility
- Water solubility:
- >= 6 720 - <= 6 800 mg/L
- Temp.:
- 20 °C
- Details on results:
- Visual Estimation
The results are shown in the Table 2. As a overall result, water solubility is in the rangeof 6.72 x 1.00E+03 and 6.80
x 1.00E+03 mg/l.
Atom/Fragment Contribution
The computer based estimate for the test material gave a water solubility value of 4.333 x 1.00E-02 mg/l at 25°C.
Any other information on results incl. tables
Table 2
Sample Number |
Observations |
Water Solubility (mg/l) |
1 |
No visible excess material |
6.61 x 103 |
2 |
No visible excess material |
6.72 x 103 |
3 |
Excess test material present |
6.80 x 103 |
4 |
Excess test material present |
6.90 x 103 |
Discussion
During preliminary water solubility trials it was discovered that excess test material could not be removed from saturated test solutions. A combination of filtration (as low as 0.2 µm) and centrifugation (at speeds up to 40000 G) could not remove the excess test material. Method A6/105 states that test solutions should be free and clear from undissolved test material prior to subsequent analysis.
Different loading rates were also attempted to prevent emulsification of the test solution. Even at double the water solubility (by visual inspection) emulsification was evident.
The standard method for water solubility was deemed not appropriate and therefore estimated by visual inspection and computer-based estimation software.
It is possible that the test material had not reached saturation equilibrium during the visual estimation as impurities/degradation products may have influenced the results.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): soluble (1000-10000 mg/L)
Using a visual estimation technique, the test material has been determined to have a water solubility in the range 6.72 x 1.00E+03 and 6.80
x 1.00E+03 mg/l at 20.0 ± 0.5°C. Using an atom/fragment contribution method, the water solubility has been estimated to be 4.333 x 1.00E-02 mg/l at 25°C. - Executive summary:
In the range 6.72 x 1.00E+03 and 6.80 x 1.00E+03
mg/l of solution at 20.0 ± 0.5°C, based on the flask method, Method A6 of Commission Directive 92/69/EEC and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. Using an atom/fragment contribution method, the water solubility has been estimated to be 4.333 x 1.00E-02 mg/l at 25°C.
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