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EC number: 205-471-8 | CAS number: 141-23-1
- 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:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017 March
- 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:
- Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH data gaps.
- Qualifier:
- according to guideline
- Guideline:
- other: (Q)SAR WSKOW
- Version / remarks:
- U.S. EPA EPI-Suite WSKOW v1.42
- Principles of method if other than guideline:
- Estimated data are obtained from a reliable (Q)SAR program (U.S. EPA EPI-Suite WSKOW v1.42).
- GLP compliance:
- no
- Type of method:
- other: (Q)SAR
- Key result
- Water solubility:
- 0.09 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- The water solubility of the test substance was calculated to be 0.08994 mg/L using WSKOW v1.42 of Epi-Suite v4.11.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012 February 13
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Justification for type of information:
- Specification data long held by the manufacturer. Practical handling experience has not resulted in the questioning of the accuracy of this data.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Principles of method if other than guideline:
- Flask method or column elution method
- GLP compliance:
- no
- Type of method:
- other: not noted
- Key result
- Water solubility:
- < 0.1 vol%
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: no data on duration or pH
- Details on results:
- low solubility in water. Less than 100 mg/100 ml or 1 g/L.
- Conclusions:
- The test substance demonstrated a water solubility less than 0.1% at 25 degrees C. The substance can therefore be considered insoluble.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental data obtained from efforts to solubilise the test material in media for guideline OECD 301 B biodegradation study.
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 301B
- Version / remarks:
- Ready Biodegradability: CO2 Evolution (Modified Sturm Test)
- Qualifier:
- according to guideline
- Guideline:
- other: International Standards Organisation (ISO) 10634, 1995. Guideline for the preparation and treatment of Poorly Water-Soluble organic compounds for the subsequent evaluation of their biodegradability in aqueous medium.
- Principles of method if other than guideline:
- Various methods were used to maximize the amount of test material in deionised water.
- GLP compliance:
- yes
- Type of method:
- other: high shear method/ultrasonication/mixing
- Key result
- Water solubility:
- < 50 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- pH:
- 7.4
- Remarks on result:
- other: not soluble in water
- Details on results:
- The following preliminary solubility/dispersibility work was performed in order to determine the most suitable method of preparation:
i) Ultrasonication: A nominal amount of test item (50 mg) was dispersed in 1 liter of deionized reverse osmosis purified water with the aid of shaking by hand for approximately 1 minute prior to ultrasonication for 30 minutes. This formed a clear colorless water column with particles and chunks of test item visible dispersed throughout.
ii) High Shear Mixing: A nominal amount of test item (50 mg) was dispersed in 1 liter of deionized reverse osmosis water and subjected to high shear mixing (approximately 7500 rpm, 30 minutes) and formed a slightly cloudy dispersion with many fine particles of test item visible dispersed throughout and a layer of foam on the surface.
This work confirmed that the test item was insoluble in water. Therefore the following additional solubility work was conducted to ascertain the best method to employ in the biodegradation test.
iii) Ultrasonication: A nominal amount of test item (50 mg) was dispersed in 400 mL of mineral media with the aid of ultrasonication for 15 minutes. The volume was then adjusted to a final volume of 3 liters with mineral media. This formed a clear colorless media column with chunks of test item visible on surface and at bottom of flask.
iv) High Shear Mixing: A nominal amount of test item (50 mg) was dispersed in 400 mL of mineral media with the aid of high shear mixing (approximately 7500 rpm, for 15 minutes). The volume was then adjusted to a final volume of 3 liters with mineral media. This formed a clear colorless media column with an oily layer of test item visible on the surface with a thin layer of foam. After 48 and 72 hours of magnetic stirring a cloudy dispersion was formed with many particles/globules of test item visible on the surface and dispersed throughout.
v) Preliminary Solution in a Volatile Solvent: The addition of a test item solvent stock to glass fibre filter paper was attempted. A nominal amount of test item (1000 mg) was dissolved in chloroform (10 mL) with the aid of ultrasonication for 2 minutes and formed a clear colorless solution. An aliquot (450 µL) of this solvent stock solution was dispensed to filter paper. The solvent was allowed to evaporate to dryness for approximately 15 minutes. The filter paper was then added to approximately 400 mL mineral medium and subjected to high shear mixing (approximately 7500 rpm, 5 minutes). The volume was then adjusted to 3 liters with mineral medium. This formed a cloudy dispersion with an oily layer of test item visible on the surface with a thin layer of foam. Particles of test item/filter paper were visible dispersed throughout. After 48 and 72 hours of magnetic stirring a very cloudy dispersion was formed with many particles/globules of test item visible on the surface and dispersed throughout. Particles of test item/filter paper were visible dispersed throughout.
vi) Preliminary Solution in a Non-Volatile, Non-Degradable Solvent: A nominal amount of test item (100 mg) was dispersed in silicone oil (10 mL) with the aid of shaking by hand for approximately 1 minute followed by ultrasonication for 15 minutes. A clear colorless solvent was formed with chucks of test item visible.
From the preliminary solubility work and following the recommendations of the International Standards Organisation (ISO 10634, (1995)) it was concluded that the best testable dispersion was found to be obtained when using the high shear mixing method of preparation (method iv).
The water solubility of the test material is substantially less than ___ mg/L. - Conclusions:
- The water solubility of the test material was assessed using various methods including ultrasonication and high shear mixing, in preparation for a biodegradability study. It was found that solubility in deionized water was considerably less than 50 mg/L, resulting in a cloudy dispersion with small particles of test item visible throughout the water column.. The conclusion of the study is that the substance is not soluble in water, or is consistent with "poorly water-soluble".
Referenceopen allclose all
Water Sol from Kow (WSKOW v1.42) Results:
========================================
Water Sol: 0.08994 mg/L
SMILES : O=C(OC)CCCCCCCCCCC(O)CCCCCC
CHEM : Octadecanoic acid, 12-hydroxy-, methyl ester
MOL FOR: C19 H38 O3
MOL WT : 314.51
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 6.69
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 6.69
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.693-0.96 log Kow-0.0092(Tm-25)-0.00314 MW + Correction
Melting Pt (Tm) = 52.00 deg C (Use Tm = 25 for all liquids)
Correction(s): Value
-------------------- -----
Alcohol, aliphatic 0.424
Log Water Solubility (in moles/L) : -6.544
Water Solubility at 25 deg C (mg/L): 0.08994
Description of key information
Insoluble
Key value for chemical safety assessment
- Water solubility:
- 0.09 mg/L
- at the temperature of:
- 25 °C
Additional information
The test substance is insoluble in water. A point value of 0.08994 mg/L was estimated using WSKOW v1.42 of EPI-Suite v4.11. In a ready biodegradation study on the test substance, the water solubility of the test material was assessed using various standardized solubilisation methods including ultrasonication and high shear mixing. The "solution" was described as a cloudy dispersion with small particles of test item visible throughout the water column. The conclusion of the study is that the substance is not soluble in water, or is consistent with "poorly water-soluble".
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.