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EC number: 236-291-8 | CAS number: 13282-70-7
- 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:
- key study
- Study period:
- 2014-09-14 to 2014-10-29
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Remarks:
- The substance is a surfactant whose physical-chemical properties make it impossible to measure its water solubility using traditional methodology described in the OECD 105 test guideline.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Principles of method if other than guideline:
- This study was conducted under EPA TSCA Good Laboratory Practice Standards (40 CFR 792)
- GLP compliance:
- no
- Type of method:
- other: Determination of the critical micelle concentration (CMC) for the test substance employing surface tension measurements at multiple test substance concentrations in water.
- Key result
- Water solubility:
- >= 129 - <= 134 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 23 °C
- Remarks on result:
- other: pH not relevant
- Conclusions:
- The limit of water solubility of the substance was determined to be 129 mg total active substance/L employing surface tension measurements at multiple test concentrations to determine the CMC. Based on a test substance purity of 96 wt% total active substance, this corresponds to a solubility limit of 134 mg test substance/L.
- Executive summary:
The values for water solubility for the test substance were determined experimentally employing measurements of surface tension at multiple concentrations of the test substance in water. The experimental data were employed to determine the critical micelle concentration which is considered equivalent to water solubility for surfactant test substances.
The values for water solubility are 129 mg total active substance per liter, and 134 mg test substance per liter.
Reference
Estimation of Water Solubility by Determination of Critical Micelle Concentration:
Results for the measurement of surface tension as a function of concentration for the substance are presented in in Table 1 and presented graphically in Figure 1.
The CMC was calculated as the point of intersection of the linear least squares regression lines for the two linear regions of the graph (data points 1 – 7 and data points 8 – 12).
Data Points 1 – 7
Slope (m1) = -11.03
Intercept (b1) = 17.37
r2 = 0.86
Data Points 8 – 12
Slope (m2) = 0.19
Intercept (b2) = 38.60
r2 = 0.10
For intersection of the two lines
y1 =m1x+b1 =y2 =m2x+b2
m1x - m2x = b2 - b1
(m1 -m2)x=b2-b1
x = (b2 - b1) / (m1 - m2)
x = log [Cwt% total active substance] = (38.60 - 17.37) / (-11.03 - 0.19)
log [Cwt% total active substance] = log (21.23 /-11.22) = -1.89
C = 10-1.89 = 0.0129 wt% total active substance = 129 mg total active substance/L = 134 mg test substance/L
The limit of water solubility of the substance was determined to be 129 mg total active substance/L employing surface tension measurements at multiple test concentrations to determine the CMC. Based on a test substance purity of 96 wt% total active substance, this corresponds to a solubility limit of 134 mg test substance/L.
Above 129 mg total active substance/L any added surfactant will not increase the concentration of the solvated material but instead increases the number of colloidal particles of aggregated molecules called micelles. These structures are not generally visible as discrete particles to the human eye, but rather appear as a haze or, may be optically clear. As the concentration of the surfactant continues to increase the micelles begin to coalesce into lamellar structures which likely will separate as free-phase. These are non-watery structures large enough to be visible to the human eye. These lamellar structures are the surfactant molecules and water very neatly packed into layers. This is not a normal solute. The intermolecular interactions between surfactant molecules are much more important than the interactions with the solvent.
Description of key information
Values for water solubility were determined based on measurement of surface tension at multiple test substance concentrations in water to determine the Critical Micelle Concentration for the test substance. The values for water solubility are 129 mg total active substance per liter, and 134 mg test substance per liter.
Key value for chemical safety assessment
- Water solubility:
- 134 mg/L
- at the temperature of:
- 23 °C
Additional information
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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