Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 939-253-5 | CAS number: 68424-85-1
- 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

Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From July 18, 2011 to April 23, 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- other: Estimation method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Molecular formula: Cn+9 H2n+14 N Cl (n=12-16)
- Molecular weight: 352.5
- Substance type: Solid
- Physical state: White powder with lumps (determined at NOTOX)
- Method used for analysis: LC-MS/MS and GC-MS (external standard)
- Purity test date: 20 December, 2011
- Lot/batch No.: 667S0002
- Expiration date of the lot/batch: 16 August, 2012
- Stability under test conditions: Stable
- Storage condition of test material: At room temperature in the dark in desiccator
- Study specific test substance information: Freeze dried Arquad sample 2.10-40, stored in desiccator above P2O5 and substance was handeled in nitrogen environment in glovebox
- Other:
- Chemical name: Benzyl(C12-C16-alkyl)dimethylazanium chloride
- Analytical purity: 99.24 + 0.0676 % w/w (C12-BKC: 73.803%, C14-BKC:25.300%, C16-BKC: 0.132%) - Analytical method:
- not specified
- Key result
- Type:
- Pow
- Partition coefficient:
- 1.01
- Temp.:
- 20 °C
- Remarks on result:
- other: Based on solubility in distilled water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.004
- Temp.:
- 20 °C
- Remarks on result:
- other: Based on solubility in distilled water
- Key result
- Type:
- Pow
- Partition coefficient:
- 1.03
- Temp.:
- 20 °C
- Remarks on result:
- other: Based on solubility in buffer solutions
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.01
- Temp.:
- 20 °C
- Remarks on result:
- other: Based on solubility in buffer solutions
- Key result
- Type:
- Pow
- Partition coefficient:
- 567
- Temp.:
- 20 °C
- Remarks on result:
- other: Based on critical micelle concentration
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.75
- Temp.:
- 20 °C
- Remarks on result:
- other: Based on critical micelle concentration
- Conclusions:
- Under the conditions of the study, the partition coefficient (Pow values) of the test substance was determined to be 1.01, 1.03 and 567 at 20°C. This corresponds to log Pow values of 0.004, 0.01 and 2.75 based on solubility in water, in buffer solutions and on critical micelle concentration, respectively.
- Executive summary:
A study was conducted to determine the partition coefficient of the test substance using the estimation method according to OECD guideline 107 and EU method A.8, in compliance with GLP. The partition coefficient was calculated as the quotient of the n-octanol solubility and the water solubility. Three aliquots between 1.99 and 2.21 g of test substance were weighed into glass vessels and to each vessel, 2 mL n-octanol was added. The solutions were stirred at 20.3 ± 0.5°C for 24, 48 or 72 hours. As the blank, 2 mL n-octanol was stirred for 72 hours. After the stirring period, the n-octanol phases were two-times centrifuged at 16421g and 20°C for 5 minutes. Volumes of 50 μL of the n-octanol phases were accurately weighed into volumetric flasks of 50 mL and the flasks were filled up to the mark with methanol. Thereafter, the solutions were further diluted to obtain concentrations within the calibration range. The end solution was 85/15% (v/v) methanol/mobile phase B. Under the conditions of the study, the partition coefficient (Pow values) of the test substance was determined to be 1.01, 1.03 and 567 at 20°C. This corresponds to log Pow values of 0.004, 0.01 and 2.75 based on solubility in water, in buffer solutions and on critical micelle concentration, respectively (Brekelmans, 2012).
Reference
The n-octanol solubility of the test substance as the sum of the solubilities of each component was 459 g/L (determined at 20.3 ± 0.5°C). According to information supplied by the sponsor, the solubility of the test substance in distilled water was 455 g/L (determined at 20.0°C), the solubility in buffer solutions was 444 g/L (determined at 20.1 ± 0.1°C) and the critical micelle concentration was 0.81 g/L (determined at 19.7 ± 0.1°C).
Table 1. Pow and Log Pow values of the test substance
|
Description of key information
The partition coefficient was determined according to OECD Guideline 107 and EU Method A.8 (octanol/water type) (Brekelmans, 2012)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.75
- at the temperature of:
- 20 °C
Additional information
Pow values: 1.01, 1.03 and 567 at 20°C and log Pow values: 0.004, 0.01 and 2.75 based on solubility in water, in buffer solutions and on critical micelle concentration, respectively.
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.

Route: .live2