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EC number: 226-033-2 | CAS number: 5235-82-5
- 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:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- The study described in this report was conducted in a facility which operates in accordance with Good Laboratory Practice principles, however no claim of GLP compliance was intended nor is made for this study.
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: 4-(3-(1-napthylamino)propyl)morpholine
Appearance/Physical state: brown/black granular solid
Batch: ZA01212016
Purity: 94.4%
Expiry date: 20 January 2019
Storage conditions: room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.93
- Temp.:
- 22.2 °C
- pH:
- 9.5
- Conclusions:
- The partition coefficient of the test item has been determined to be 855 at 22.2 ± 0.5 °C, log10 Pow 2.93.
- Executive summary:
Partition Coefficient (n-octanol/water). 855, log10Pow 2.93 at 22.2 ± 0.5 °C, 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
Preliminary Estimate Results:
The log10Powwas calculated to be: 2.6
Definitive Test Results:
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Organic Phase
Solution |
Mean Peak Area |
Standard 10.1 mg/L |
5.2049 x 106 |
Standard 20.2 mg/L |
1.0476 x 107 |
Standard 30.2 mg/L |
1.5612 x 107 |
Standard 30.1 mg/L |
1.5462 x 107 |
Standard 40.3 mg/L |
2.0895 x 107 |
Standard 50.4 mg/L |
2.6117 x 107 |
Organic Sample 1 |
1.3204 x 107 |
Organic Sample 2 |
1.3155 x 107 |
Organic Sample 3 |
1.3154 x 107 |
Organic Sample 4 |
1.3171 x 107 |
Organic Sample 5 |
1.3191 x 107 |
Organic Sample 6 |
1.3192 x 107 |
Stock solution A |
1.3271 x 107 |
Stock solution B |
1.3170 x 107 |
Aqueous Phase
Solution |
Mean Peak Area |
Standard 0.101 mg/L |
5.6889 x 104 |
Standard 0.302 mg/L |
1.6106 x 105 |
Standard 0.605 mg/L |
3.1738 x 105 |
Standard 0.806 mg/L |
4.1020 x 105 |
Standard 1.01 mg/L |
5.1853 x 105 |
Standard 1.00 mg/L |
5.1536 x 105 |
Standard 2.02 mg/L |
1.0322 x 106 |
Standard 3.02 mg/L |
1.5490 x 106 |
Standard 5.04 mg/L |
2.5810 x 106 |
Aqueous Sample 1 |
7.5849 x 105 |
Aqueous Sample 2 |
7.6694 x 105 |
Aqueous Sample 3 |
7.5962 x 105 |
Aqueous Sample 4 |
7.6216 x 105 |
Aqueous Sample 5 |
7.6088 x 105 |
Aqueous Sample 6 |
7.8056 x 105 |
The analyzed concentration (mg/L) and test item weight (mg) of the respective phases are shown in the following table:
Flask |
Total Weight (mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
Analyzed Concentration (mg/L) |
Weight (mg)† |
Analyzed Concentration (mg/L) |
Weight (mg)† |
pH |
|||
1 |
102 |
2.55 x 103 |
102 |
2.96 |
0.118 |
9.53 |
100.0 |
2 |
115 |
2.54 x 103 |
114 |
2.99 |
0.135 |
9.54 |
99.6 |
3 |
69.0 |
2.54 x 103 |
68.7 |
2.96 |
0.160 |
9.57 |
99.7 |
4 |
69.0 |
2.55 x 103 |
68.8 |
2.97 |
0.161 |
9.57 |
99.9 |
5 |
153 |
2.55 x 103 |
153 |
2.97 |
8.90 x 10-2 |
9.52 |
99.8 |
6 |
138 |
2.55 x 103 |
138 |
3.04 |
8.22 x 10-2 |
9.53 |
99.8 |
pH of n-octanol saturated water: 9.63
Temperature: 22.2 ± 0.5°C
*From analysis of the stock solution
†From analysis of the respective phase
The partition coefficient determined for each flask is shown in the following table:
Flask |
Organic/Aqueous Volume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
863 |
2.94 |
857 |
2 |
851 |
2.93 |
||
3 |
1:2 |
859 |
2.93 |
858 |
4 |
857 |
2.93 |
||
5 |
2:1 |
860 |
2.93 |
849 |
6 |
838 |
2.92 |
Mean Pow : 855 log10Pow: 2.93 Powstandard deviation : 9.13
Validation:
The relationship of the detector response with respect to concentration was initially assessed to give a curve for the organic analysis and gave linear response with a non zero intercept for the aqueous analysis. Therefore for the definitive testing, multi-point calibrations were prepared for both phases. The response relationship for both phases during the definitive testing was linear with correlation coefficients (r) of 1.000 being obtained for both matrices.
Discussion:
The determination of partition coefficient was performed using the shake-flask method. This was due to the expected partition coefficient obtained in the preliminary assessment.
The n-octanol saturated water was adjusted to pH 9.5 to ensure the test item was partitioned in its non-ionized form.
For the analysis the main component of the test item (at a retention time of ~ 2.5) was used to quantify the partition coefficient.
Description of key information
Partition Coefficient (n-octanol/water). 855, log10Pow2.93 at 22.2 ± 0.5 °C, 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.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.93
- at the temperature of:
- 22.2 °C
Additional information
The partition coefficient of the test item has been determined to be 855 at 22.2 ± 0.5 °C, log10 Pow2.93.
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