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Diss Factsheets
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EC number: 243-818-5 | CAS number: 20429-33-8
- 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
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- From March 10, 2017 to March 15, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- - Surface tension: The surface tension of the test substance was determined by OECD Test No. 115. It was concluded: The surface tension of a test solution at 90% of the test substance saturation solubility in water and at 20°C was 32.9 nM/m. According to this, the test substance is considered to be surface active.
- Water solubility: The WATERNT estimation of the water solubility of the constituents of the test material resulted in a weighted average water solubility of 5.46 mg/L. - Key result
- Conc. based on:
- test mat.
- Remarks on result:
- not determinable
- Details on results:
- Preliminary Results
The test substance did not entirely dissolve at the concentration of 1 g/L.
Both surfactant properties (foaming) and insolubility (residual particulates) were observed. The preliminary test indicated the test substance was a mixture of insoluble component(s) and surfactant(s).
Definitive Test Results
The definitive test was initiated to confirm the observations from the preliminary test under controlled conditions. The flasks were taken off on Day 3 and observed.
Observations:
- The control flask was clear water.
- The three test substance flasks had a purplish oil floating on top, particulates (floaters) dispersed throughout the solution, and a general cloudiness.
- A one mL aliquot of one of the test substance flasks was diluted in 100 mL of water, particulates, and cloudiness were still observed.
- The contents of one test substance flask were vigorously shaken and foaming of the solution (surfactant characteristics) was observed.
The Definitive OECD 105 test could not be completed due to the surfactant characteristics of the test substance. - Conclusions:
- Under the study conditions, direct measurement of the water solubility could not be determined due the surfactant properties of the test substance.
- Executive summary:
A study was conducted to determine the solubility of the test substance according to OECD Guideline 105 in compliance with GLP. Under the study conditions, direct measurement of the water solubility could not be determined due the surfactant properties of the test substance (Ford, 2017).
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- - Surface tension: The surface tension of the test substance was determined by OECD Test No. 115. It was concluded: The surface tension of a test solution at 90% of the test substance saturation solubility in water and at 20°C was 32.9 nM/m. According to this, the test substance is considered to be surface active.
- Water solubility. The water solubility of the test substance was determined according to OECD Guideline 105. Direct measurement of the water solubility could not be determined due the surfactant properties of the test substance. - Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Version / remarks:
- v1.42 WATERNT
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- other: QSAR Weighted average (WATERNT v1.42)
- Key result
- Water solubility:
- 5.46 mg/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: range of 0.01 to 134.30 mg/L.
- Conclusions:
- Under the study conditions, modelled average water solubility measurement is 5.46 mg/L.
- Executive summary:
A study was conducted to determine the solubility of the test substance by QSAR modelling (WATERNT). Under the study conditions, modelled average water solubility measurement is 5.46 mg/L (US EPA, 2000).
Referenceopen allclose all
WATERNT |
||||||
Components |
Mass fraction (mi) |
Molecular weight (Mi, g/mol) |
mi/Mi |
Mole fraction Xi = (mi/Mi)/∑ (mi/Mi) |
Water solubility |
WS * xi |
OCCOCCNC(CCCCCCC/C=C\CCCCCCCC)=O |
0.6240 |
369.59 |
0.001688 |
0.627599 |
7.40E-01 |
0.464222 |
OCCOCCNC(CCCCCCC/C=C\C/C=C\CCCCC)=O |
0.2730 |
367.58 |
0.000743 |
0.276076 |
1.63E+00 |
0.449286 |
OCCOCCNC(CCCCCCCCCCCCCCCCC)=O |
0.0224 |
371.61 |
0.000060 |
0.022407 |
3.36E-01 |
0.007533 |
OCCOCCNC(CCCCCCC/C=C/C/C=C/CCCC)=O |
0.0194 |
353.55 |
0.000055 |
0.020397 |
5.39E+00 |
0.109949 |
O=C(NCCOCCOC)CCCCCCC/C=C\CCCCCCCC |
0.0186 |
383.62 |
0.000048 |
0.018023 |
1.73E-01 |
0.003113 |
O=C(NCCOCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCCCC/C=C\CCCCCCCC |
0.0143 |
632.03 |
0.000023 |
0.008410 |
6.32E-07 |
0.000000 |
OCCOCCNC(CCCCCCC/C=C/CCCCCCCC)=O |
0.0126 |
369.59 |
0.000034 |
0.012673 |
7.40E-01 |
0.009374 |
OCCOCCNC(CCCCCCCCCCCC)=O |
0.0058 |
301.47 |
0.000019 |
0.007152 |
1.32E+02 |
0.944580 |
O=C(NCCOCCOC(CCCCCCC/C=C\C/C=C\CCCCC)=O)CCCCCCC/C=C\C/C=C\CCCCC |
0.0045 |
630.02 |
0.000007 |
0.002655 |
6.30E-07 |
0.000000 |
O=C(NCCOCCNC(CCCCCCC/C=C\CCCCCCCC)=O)CCCCCCC/C=C\CCCCCCC |
0.0036 |
619.04 |
0.000006 |
0.002162 |
6.19E-07 |
0.000000 |
CCCCCCCCCCC(NCCOCCO)=O |
0.0018 |
273.42 |
0.000007 |
0.002447 |
1.42E+03 |
3.476171 |
∑ |
1 |
|
0.002690 |
|
|
5.46 |
Description of key information
The water solubility was determined according to OECD Guideline 105 and QSAR modelling (Ford, 2017).
Key value for chemical safety assessment
- Water solubility:
- 5.46 mg/L
Additional information
- 5.46 mg/L (QSAR)
- Measurement not possible due to surfactant properties of the test substance (OECD 105)
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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