Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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: 619-508-4 | CAS number: 381209-09-2
- 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
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 15, 2010 - December 21, 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: This study has been performed according to OECD and/or EC guidelines and according to GLP principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
- EC Number:
- 619-508-4
- Cas Number:
- 381209-09-2
- Molecular formula:
- C13 H24 O2
- IUPAC Name:
- 1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
- Details on test material:
- - Name of test material (as cited in study report): CAT-Acid
- Stability under test conditions: stable
- Storage condition of test material: at room temperature in the dark
Constituent 1
- Radiolabelling:
- no
Study design
HPLC method
- Details on study design: HPLC method:
- Procedure
According to the guidelines, the determination of the Koc for test substances that are ionized for at least 10% within pH 5.5 to 7.5 should be performed with both the ionized and non-ionized form.Therefore, the pKa values of the test substance were calculated using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International San Francisco, CA, USA). Based on the calculations, the HPLC analysis was performed at neutral pH and pH 2.
Solutions of reference substances with known log Koc values based on soil adsorption data and the test substance were analysed. The capacity factor (k') of each compound was calculated from its retention time. The log k' values of the references substances were plotted against the known log Koc values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Koc value for the test substance was calculated by substituting its mean log k¿ in the calibration curve.
Analytical conditions (test at neutral pH)
- Instrument: Alliance Separation Module 2695 (Waters, Milford, MA, USA)
- Detector: Dual ¿ Absorbance Detector 2487 (Waters)
- Column: Hypersil BDS-CN, 150 mm x 4.6 mm i.d., dp = 5 µm (Thermo Fisher Scientific, Waltham, MA, USA)
- Column temperature: 35°C +/- 1°C
- Mobile phase: 50/50 (v/v) methanol/water
- Flow: 1 mL/min
- Injection volume: 10 µL
- UV detection: 210 nm
Analytical conditions (test at pH 2)
- Instrument: Alliance Separation Module 2695 (Waters, Milford, MA, USA)
- Detector: Dual ¿ Absorbance Detector 2487 (Waters)
- Column: Hypersil BDS-CN, 150 mm x 4.6 mm i.d., dp = 5 µm (Thermo Fisher Scientific, Waltham, MA, USA)
- Column temperature: 35°C +/- 1°C
- Mobile phase: 50/50 (v/v) methanol/water adjusted to pH 2
- Flow: 1 mL/min
- Injection volume: 10 µL
- UV detection: 210 nm
Reference substances
- For test at neutral pH: acetanilide, atrazine, monuron, 2,5-dichloroaniline, benzoic acid phenylester, fenthion, phenanthrene and 2,4-DDT
- For test at pH 2: acetanilide, monuron, benzoic acid phenylester, fenthion, phenanthrene and 2,4-DDT.
- Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. The stock solutions were diluted to obtain an end solution of 50/50 (v/v) methanol/water or 50/50 (v/v) methanol/water adjusted to pH 2. The blank solution for the mixture of reference substances was 50/50 (v/v) methanol/water or 50/50 (v/v) methanol/water adjusted to pH 2.
Preparation of the test solutions
A 2085 mg/L stock solution was prepared in methanol. This stock solution was diluted to obtain an end solution of 50/50 (v/v) methanol/water or 50/50 (v/v) methanol/water adjusted to pH 2. The final concentration of the substance was 1043 mg/L. The test substance blank solution was 50/50 (v/v) methanol/water or 50/50 (v/v) methanol/water adjusted to pH 2.
Injections
The reference substance and test substance solutions were injected in duplicate. Blank solutions were analysed by single injection. The mean retention times calculated from the 2 injections were used for the calculation of the k' values.
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- 3.4
- Remarks on result:
- other: The log Koc of the substance at neutral pH
- Type:
- log Koc
- Value:
- 3.6
- Remarks on result:
- other: The log Koc of the substance at pH 2
- Type:
- Koc
- Value:
- 2 700
- Remarks on result:
- other: The Koc of the substance at neutral pH
- Type:
- Koc
- Value:
- 3 600
- Remarks on result:
- other: The Koc of the substance at pH 2
Results: HPLC method
- Details on results (HPLC method):
- - In the chromatogram of the test substance 1 major peak and 4 small peaks were observed (most likely originating from impurities). The total mean area of these 4 small peaks was about 2% and their log Koc values were all lower than the log Koc of the substance.
Any other information on results incl. tables
- The value of log Koc obtained from the duplicate measurements was within +/- 0.25 log units.
- The equation of the regression line for the determination of the log Koc at neutral pH was: log k'=0.314 x log Koc - 1.04 (r=0.97, n=16)
- The equation of the regression line for the determination of the log Koc at pH 2 was: log k'= 0.292 x log Koc - 1.18 (r=0.97, n=12)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of the substance. The log Koc of the substance at neutral pH and pH 2 was 3.4 and 3.6, 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.