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EC number: 263-218-7 | CAS number: 61792-31-2
- 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
- Remarks:
- by estimation method
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 07 Jan - 17 Feb 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- assessment report
Reference
- Endpoint:
- water solubility
- Remarks:
- by critical micelle concentration (CMC)
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 05 Feb - 20 Feb 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: EC A.5
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 115
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- other: ISO 4311
- Deviations:
- not specified
- GLP compliance:
- yes
- Type of method:
- other: OECD harmonised ring method for CMC determination
- Water solubility:
- 68 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- Remarks on result:
- other: CMC measurement
Results:
Preliminary test--
The results of the test solutions prepared on the first day to estimate the CMC, are summarized below. The individual measurements were obtained with a coefficient of variation of < 0.2 mN/m. The estimated critical micelle concentration was 69 mg/L.
Surface tension was measured at 1.002 mg/L, 10.018 mg/L, 100.86 mg/L, 1005.9 mg/L, and 10016 mg/L. Measured average values, respectively, were: 71.34 mN/m, 54.39 mN/m, 22.35 mN/m, 27.95 mN/m, and 29.67 mN/m.
Main study--
The results of the main study on the determination of the CMC on the second day, are summarized below. The individual measurements were obtained with a coefficient of variation of < 0.2 mN/m.
Surface tension was measured at 5.0017 mg/L, 25.029 mg/L, 50.273 mg/L, 201.94 mg/L, and 500.88 mg/L. Measured average values, respectively, were: 64.97 mN/m, 39.35 mN/m, 31.13 mN/m, 22.86 mN/m, and 25.43 mN/m.
Summary of the Determination of the Surface Tension of the Test Item Solutions:
Sample |
Concentration C[mg/L] |
Log C |
Surface tension [mN/m] |
1 |
5.0017 |
0.7 |
64.97 |
2 |
25.029 |
1.4 |
39.35 |
3 |
50.273 |
1.7 |
31.13 |
4 |
201.94 |
2.3 |
22.86 |
5 |
500.88 |
2.7 |
25.43 |
6 |
2031.7 |
3.3 |
28.97 |
The results above were used for calculation of the log C value. The plot of the surface tension of the test solutions as function of log C is summarized by 2 trendlines. The CMC was determined from the intersection of the two trendlines y1 and y2. Trendline y1 was obtained using the data of the test solutions with test item concentrations of 5.0017, 25.029 and 50.273 mg/L. Trendline y2 was obtained from the mean surface tension of the test solutions with test item concentrations of 201.94, 500.88 and 2031.7 mg/L. The intersection was calculated to be at a log C value of 1.83. It corresponded with a CMC of 68 mg/L.
Plot of Surface tension versus log C (concentration)--
Trendline y1 has equation: y1 = -34.267x + 88.542
Trendline y2 has equation: y2 = 25.753
Conclusion--
The CMC of the test item was determined by measuring the surface tension of test item solutions at different test item concentrations. The Critical Micelle Concentration (CMC) of the test item is 68 mg/L.
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
- Reference Type:
- other: Amendment
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-[3-(dimethylamino)propyl]dodecanamide N-oxide
- EC Number:
- 263-218-7
- EC Name:
- N-[3-(dimethylamino)propyl]dodecanamide N-oxide
- Cas Number:
- 61792-31-2
- Molecular formula:
- C17H36N2O2
- IUPAC Name:
- N-[3-(dimethylamino)propyl]dodecanamide N-oxide
Constituent 1
Study design
- Analytical method:
- other: visual observation for n-octanol solubility
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- >= 2.2 - < 3.2
- Temp.:
- 20 °C
- Remarks on result:
- other: Gel forms at Log Pow = 3.2
- Details on results:
- Test sample at 102.78 g/L was not clear and formed a gel. This corresponds to Log Kow = 3.18, or 3.2 (rounded).
Any other information on results incl. tables
Results:
n-octanol solubility:
After the stirring period, the test sample at concentration of 0.096 g/L, 1.31 g/L, 5.54 g/L and
11.34 g/L were clear, and no undissolved test item was observed. The test sample at concentration of 102.78 g/L was not clear and formed a gel. Due to the formation of the gel, it was not possible to determine the n-octanol solubility by using the validated analytical method. From this, it was concluded that the n-octanol solubility determined by visual evaluation was ≥ 11.34 g/L at 20°C.
Critical micelle concentration:
Critical micelle concertation has determined to be 0.068 g/L (see water solubility endpoint).
Partition coefficient-estimation method:
The Pow, calculated as the quotient of the n-octanol and critical micelle concertation, is ≥ 1.7E2 and < 1.5E4 at 20 deg C. It corresponds with a log Pow value of ≥ 2.2 and < 3.2. (Note: upper limit is indicated in report amendment).
Justification (from Final Report Amendment No. 1):
For the risk assessment it is necessary to establish the upper limit for the partition coefficient. Since at 102.78 g/L solubility of test item in n-octanol was exceeded (gel was formed) this value is used for the estimation of the upper limit of the partition coefficient.
Conclusion:
The test item is a surface active compound. Therefore it was considered that the estimation method was the best suited method for the determination of the Pow of N-[3- (dimethyloxidoamino)propyl]-dodecanamide, using the solubility in n-octanol and critical micelle concentration (CMC) as a solubility limit in water. The partition coefficient (Pow) of N-[3-(dimethyloxidoamino)propyl]-dodecanamide by applied estimation method at 20 °C was ≥ 1.7E2. It corresponds with a log Pow value of ≥ 2.2.
Applicant's summary and conclusion
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