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EC number: 287-090-7 | CAS number: 85409-23-0
- 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:
- supporting study
- Study period:
- From November 2001 to January 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- For surfactants, partition coefficient is recommended to be calculated based on individual solubility ration in n-octanol and water
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Lot no: MRT-2518-038
Identity: C12-14 ADEBAC
Purity: 68 % C12-alkyl compound, 32 % C14-alkyl compound
Appearance: White solid
Storage: Room temperature, desiccated - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 4.9 - ca. 6.2
- Temp.:
- 25 °C
- pH:
- ca. 5
- Remarks on result:
- other: log10Powvalues were determined to be 4.9, 5.2, 6.1 and >6.2 at pH 5 for the 4 primary components respectively
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.2
- Temp.:
- 25 °C
- pH:
- ca. 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.2
- Temp.:
- 25 °C
- pH:
- ca. 9
- Conclusions:
- Under study conditions, the test substance were found to have log10 Pow values of 4.9->6.2 at pH 5 and >6.2 at pH 7 & 9 at 25°C.
- Executive summary:
A study was conducted to determine the partition coefficient of the test substance, C12 -14 ADEBAC (active not specified), using the HPLC method, according to the OECD Guideline 117 and EU Method A.8, in compliance with GLP. The effect of pH on the partitioning behavior of the test substance was difficult to predict, therefore the test was conducted over a range of pH values (5, 7 and 9). Under study conditions, the four primary components of test substance (i.e., the isomers of the C12 -14 alkyl chains of ADEBAC) were found to have log10Powvalues of 4.9, 5.2, 6.1 and >6.2 at pH 5; all >6.2 at pH 7; all >6.2 at pH 9 at 25°C (Sydney 2002).
Reference
Results
pH 5 test
Primary components 1, 2 and 3 were found to have log10Pow values of 4.9, 5.2 and 6.1 respectively. Primary component 4 did not elute before DDT, yielding a log10Pow value of greater than 6.2.
pH 7 and pH 9 tests
Primary components were found to elute before DDT, yielding log10Pow values of greater than 6.2.
Description of key information
Partition coefficient of the test substance was determined using the HPLC method, according to the OECD Guideline 117 and EU Method A.8 (Sydney, 2002) as well based on individual solubility in n-octanol and water according to the calculation method specified in OECD Guideline 107 and EU A.8 for surface active agents (Lonza, 2018).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.48
- at the temperature of:
- 20 °C
Additional information
Partition coefficient based on HPLC method: 4.9->6.2 at pH 5 and >6.2 at pH 7 & 9 at 25°C; HPLC method is not applicable for surfactants;
Partition coefficient (calculated based on solubility ratio in n-octanol and water/CMC): 2.48 at 20-25 °C;
As the test substance is a surfactant, in line with the ECHA R.7a Guidance, the more reliable log Kow calculated based on solubility ratio, has been taken forward for hazard/risk assessment.
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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