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EC number: 221-067-4 | CAS number: 2997-01-5
- 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012-04-13 - 2012-05-02.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: Commission Regulation (EC) No 440/2008 of 30 May 2008, Part A: Methods for the determination of physico-chemical properties.
- Version / remarks:
- 30 May 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 27 July 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Batch n°: PFW090017
- Date CoA: 27.10.2011
- Water content: 0.12%
- Test Substance Name Jeffamine EDR-176
- Chemical Name 3,3-etheylenedioxybis(propylamine)
- CAS number 2997-01-5
- Batch Number PFW090017
- Description Colourless liquid
- Molecular Formula C8H20N2O2
- Molecular Weight 176 g.mol-1 - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.24
- Temp.:
- 21.6 °C
- pH:
- 11.6
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.057
- Temp.:
- 21.6 °C
- pH:
- 11.6
- Details on results:
- Preliminary estimate: The Log10 Pow was calculated to be: -1.18
The partition coefficient of the test item has been determined to be 5.73 x 10-2 at 21.6 ± 1.0 °C, log10 Pow -1.24 at pH 11.6. - Conclusions:
- The partition coefficient of the test item has been determined to be 5.73 x 10-2 at 21.6 ± 1.0 °C, log10 Pow -1.24 at pH 11.6.
- Executive summary:
The partition coefficient of the test item has been determined to be 5.73 x 10 E -2 at 21.6 ± 1.0 °C, Log10 Pow -1.24 at pH 11.6, using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Reference
Results definitive test:
The mean peak areas obtained from duplicate injections of the standard, stock and sample solutions are shown in the following two tables:
Organic Phase:
Solution * | Mean Peak Area |
Standard 10.5 mg/L | 3.28 x 10E7 |
Standard 11.2 mg/L | 3.68 x 10E7 |
Organic phase matrix blank | none detected |
Sample 1 | 5.21 x 10E7 |
Sample 2 | 5.02 x 10E7 |
Sample 3 | 4.69 x 10E7 |
Sample 4 | 4.71 x 10E7 |
Sample 5 | 4.31 x 10E7 |
Sample 6 | 4.37 x 10E7 |
* Sample number refers to which test the sample was taken from as referenced in Table 3.1 (please refer to " Any other information on materials and methods incl. tables").
Aqueous Phase:
Solution * | Mean Peak Area |
Standard 10.5 mg/L | 2.63 x 10E7 |
Standard 11.2 mg/L | 2.88 x 10E7 |
Organic phase matrix blank | none detected |
Sample 1 | 3.21 x 10E7 |
Sample 2 | 3.28 x 10E7 |
Sample 3 | 3.43 x 10E7 |
Sample 4 | 3.43 x 10E7 |
Sample 5 | 3.16 x 10E7 |
Sample 6 | 3.09 x 10E7 |
Stock solution A | 3.93 x 10E7 |
Stock solution B | 3.82 x 10E7 |
The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:
Organic phase | Aqueous Phase | |||||||||
Sample Number * | Total weight (mg) # | Total weight (mg)## |
Analyzed concentration (mg/L) |
Weight (mg)** |
Analyzed concentration (mg/L) |
Weight (mg)** |
pH |
% Recovery # |
% Recovery # |
|
1 |
134 |
89.7 |
81.1 |
3.57 |
1.26 x 10E3 |
111 |
11.57 |
85.6 |
128 |
|
2 |
134 |
89.7 |
78.1 |
3.44 |
1.29 x 10E3 |
113 |
11.64 |
87.2 |
130 |
|
3 |
114 |
76.4 |
73.1 |
5.48 |
1.35 x 10E3 |
101 |
11.65 |
93.3 |
139 |
|
4 |
114 |
76.4 |
73.4 |
5.51 |
1.35 x 10E3 |
101 |
11.65 |
93.4 |
140 |
|
5 |
91.4 |
61.1 |
67.1 |
8.05 |
1.24 x 10E3 |
74.5 |
11.64 |
90.4 |
135 |
|
6 |
91.4 |
61.1 |
68.1 |
8.17 |
1.22 x 10E3 |
72.9 |
11.64 |
88.7 |
133 |
|
pH of n-octanol saturated water: 11.49
pH of stock solution: 11.57
Temperature: 21.6± 1°C
*Sample number refers to which test the sample was taken from as referenced in Table 3.1
# From analyzed concentration ofthe stock solution
## From theoretical concentration of the stock solution
**From analysis ofthe respective phase
The partition coefficient determined for each sample is shown in the following table:
Sample Number * | Organic/Aqueous Volume ration |
Partition coefficient | Log 10 Pow | Mean partition coefficient |
1 | 1:2 | 6.42 x 10E-2 | -1.19 | 6.24 x 10E-2 |
2 | 1:2 | 6.06 x 10E-2 | -1.22 | 6.24 x 10E-2 |
3 | 1:1 | 5.42 x 10E-2 | -1.27 | 5.43 x 10E-2 |
4 | 1:1 | 5.44 x 10E-2 | -1.26 | 5.43 x 10E-2 |
5 | 2:1 | 5.40 x 10E-2 | -1.27 | 5.50 x 10E-2 |
6 | 2:1 | 5.61 x 10E-2 | -1.25 | 5.50 x 10E-2 |
- Mean Pow: 5.73 x 10E -2
- Log10 Pow: -1.24
- Pow standard deviation: 4.23 x10E-3
VALIDATION:
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 5.23 to 41.8 mglL for organic and aqueous treatment methods.
These were satisfactory with correlation coefficients of 0.997 and 0.993 being obtained respectively.
Description of key information
The partition coefficient of the test item has been determined to be 5.73 x 10 E -2 at 21.6 ± 1.0 °C, Log10 Pow -1.24 at pH 11.6, using the shake-flask method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.24
- at the temperature of:
- 21.6 °C
Additional information
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