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EC number: 270-279-3 | CAS number: 68424-19-1 This substance is identified by SDA Substance Name: C16-C18 and C18 unsaturated alkyl carboxylic acid triethanol amine salt and SDA Reporting Number: 11-006-14.
- 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:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Since the substance is a surfactant, the typical experimental procedures cannot be applied. The calculations presented here are outlined in the EU method A.8 (2008).The determinations of the water and octanol solubilities were Klimisch 1 studies.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- other: calculated based on information provided in OECD 107
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- >= 4.86
- Temp.:
- 20 °C
- pH:
- ca. 8.6
- Remarks on result:
- other: pH is determined in the water solubility study
- Conclusions:
- The logPow is calculated based on the n-octanol solubility and the water solubility to be around 4.86.
- Executive summary:
The logPow was determined according to OECD 107 based on the water and n-octanol solubility of the registered substance.
According to the OECD GUIDELINE FOR THE TESTING OF CHEMICALS 107 Adopted by the Council on 27th July 1995: Partition Coefficient (n-octanol/water): Shake Flask Method, paragraph 19 "the results of the preliminary estimation (when the shake flask method is not applicable, e.g. surface active material, a calculated value or an estimate based on the individual n-octanol and water solubilities should be provided)".
According to the OECD 107 (paragraph 5) "the partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. In the case of n-octanol and water:
Pow= C octanol/ C water"
with
C octanol: maximum concentration in octanol and C water: maximum concentration in water.
"The partition coefficient, being the quotient of two concentrations, or the quotient of the fractions of the test substance in the two phases multiplied by a fixed volume ratio, is dimensionless and is usually given in the form of its logarithm to base ten."
As laid out in the respective sections of the IUCLID dossier, the water solubility of the registered substance is 10 mg/L the solubility in octanol is > 730 g/L (water solubility and octanol solubility at 20°C) Based on this, the Pow is calculated as 73000 and the logPow is 4.86.
The thus determined log Pow is considered to be acceptable for risk assessment.
Reference
As laid out in the respective sections of the IUCLID dossier, the water solubility of the registered substance is ca. 10 mg/L the solubility in octanol is > 730 g/L (water solubility and octanol solubility at 20°C). Based on this, the Pow is calculated as >= 73000 and the logPow >= 4.86.
Description of key information
The log Kow of the substance is calculated based on the n-octanol solubility and the water solubility to be around 4.86.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.86
- at the temperature of:
- 20 °C
Additional information
Two studies are performed. In the first supporting study the value is obtained by using the HPLC method.
This study is considered as supporting since it is performed for a different batch and it is an older study dating from 2005.
In this study partition coefficient (P) results were defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system of two largely immiscible solvents n-octanol and water. 26 peaks were detected with UV and 8 with RI. The log Pow values ranged from <0.0 to 6.62. These results showed most peaks have log Pow values greater than 3.0, however mean values were 4.58 for UV and 4.65 for RI.
In the other study which is taken as the key study, the logPow is calculated based on the n-octanol solubility and the water solubility.
The logPow was determined according to OECD 107 based on the water and n-octanol solubility of the registered substance.
According to the OECD GUIDELINE FOR THE TESTING OF CHEMICALS 107 Adopted by the Council on 27thJuly 1995: Partition Coefficient (n-octanol/water): Shake Flask Method, paragraph 19 "the results of the preliminary estimation (when the shake flask method is not applicable, e.g. surface active material, a calculated value or an estimate based on the individual n-octanol and water solubilities should be provided)".
According to the OECD 107 (paragraph 5) "the partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting of two largely immiscible solvents. In the case of n-octanol and water:
Pow= C octanol/ C water"
with
C octanol: maximum concentration in octanol and C water: maximum concentration in water.
"The partition coefficient, being the quotient of two concentrations, or the quotient of the fractions of the test substance in the two phases multiplied by a fixed volume ratio, is dimensionless and is usually given in the form of its logarithm to base ten."
Based on this, the Pow is calculated as 73000 and the logPow is 4.86.
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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