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EC number: 801-829-8 | CAS number: 1247790-47-1
- 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
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 6 March to 20 September 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: According to the EU Method, OECD Guideline and it is GLP.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
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
- Principles of method if other than guideline:
- - Physical state: clear colorless liquid
- Storage condition of test material: room temperature in the dark - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil
Test material
- Reference substance name:
- 3,6-dimethylheptan-2-ol
- EC Number:
- 801-829-8
- Cas Number:
- 1247790-47-1
- Molecular formula:
- C9H20O
- IUPAC Name:
- 3,6-dimethylheptan-2-ol
- Details on test material:
- - Physical state: clear colorless liquid
- Storage condition of test material: room temperature in the dark
Constituent 1
Study design
HPLC method
- Details on study design: HPLC method:
- The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC system: Agilent Technologies 1200
Column: Waters XSelect HSS CYANO 5µm
Comlumn temperature: 30ºC
Mobile phase: methanol: purified water (55:45 v/v)
pH of mobile phase: 7.0
Flow-rate: 1.0mL/min
Injection volume: 10µL
UV detector wavelength: 210 nm
Mass Selective detector parameters: Source: Electrospray; Polarity: Positive; Mode: SIM, Fragmentor voltage: 70V; Ion monitored: 167.1 m/z; Drying gas flow: 12L/min at 350ºC; Nebulizer pressure: 35psi; Capillary voltage: 5000V
Batch equilibrium or other method
- Details on sampling:
- Preparation of the dead time solution
The dead time was determined by measuring the retention time of formamide at 610 mg/L in methanol: water (55:45 v/v)
Preparation of the sample solution
Test item (0.0607g) was diluted to 50 mL with methanol
Results and discussion
Adsorption coefficient
- Type:
- log Koc
- Value:
- 2.54
Results: Batch equilibrium or other method
- Adsorption and desorption constants:
- The test item had no dissociation constant within the environmentally relevant pH range. Therefore, the mobile phase was used at neutral pH.
- Details on results (Batch equilibrium method):
- Mass spectrometry via the sodiated form was used to detect the test item as absorption of ultraviolet/visible radiation was not significantly different from mobile phase for definitive detection.
Any other information on results incl. tables
Injection | Retention Time (mins) | Capacity Factor (k') | Log K' | Log Koc |
1 | 4.673 | 1.47 | 0.617 | 2.54 |
2 | 4.675 | 1.47 | 0.167 | 2.54 |
Mean Log Koc: 2.54
Adsorption Coefficient: 346
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient of the test item has been determined to be 346, log Kox 2.54. These values indicate that the test item would have medium environmental mobility.
- Executive summary:
346, log Koc 2.54, using the HPLC screening method, using a procedure designed to be compatible with Method C19 Adsorption Coefficient of Commission Regulation and Method 121 of the OECD Guideline. These values indicate that the test item would have medium environmental mobility.
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