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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: - | CAS number: -
- 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:
- 21st December 2020 to 25th February 2021
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
Materials and methods
Test guidelineopen allclose all
- 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
- 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
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used.
Test material
- Reference substance name:
- Reaction mass of 2(R/S)‐1‐{[(1R,2S,5R,8S)‐4,4,8‐trimethyltricyclo[6.3.1.0~2,5~]dodecan‐1‐yl]oxy}pentan‐2‐o and 2(R/S)‐1‐{[(1S,2S,5R,8R)‐1,4,4‐trimethyltricyclo[6.3.1.0~2,5~]dodecan‐8‐yl]oxy}pentan‐2‐ol
- Molecular formula:
- C20H36O2
- IUPAC Name:
- Reaction mass of 2(R/S)‐1‐{[(1R,2S,5R,8S)‐4,4,8‐trimethyltricyclo[6.3.1.0~2,5~]dodecan‐1‐yl]oxy}pentan‐2‐o and 2(R/S)‐1‐{[(1S,2S,5R,8R)‐1,4,4‐trimethyltricyclo[6.3.1.0~2,5~]dodecan‐8‐yl]oxy}pentan‐2‐ol
- Test material form:
- liquid: viscous
- Details on test material:
- Chemical name: 1‐[(4,4,8‐trimethyltricyclo[6.3.1.02,5]dodecan‐1‐yl)oxy]pentan‐2‐ol and 1‐[(1,4,4‐trimethyltricyclo[6.3.1.02,5]dodecan‐8‐yl)oxy]pentan‐2‐ol and isomers
Constituent 1
- Specific details on test material used for the study:
- Test Item
Identification: FRET 18-0091
Chemical name: 1‐[(4,4,8‐trimethyltricyclo[6.3.1.02,5]dodecan‐1‐yl)oxy]pentan‐2‐ol and 1‐[(1,4,4‐trimethyltricyclo[6.3.1.02,5]dodecan‐8‐yl)oxy]pentan‐2‐ol and isomers
Appearance: light yellow viscous liquid
Batch: RDEA571-42
Purity: 92.0%
Expiry date: 01 December 2021
Storage conditions: room temperature, in the dark - Radiolabelling:
- no
Study design
- Test temperature:
- Column temperature: 30 °C
HPLC method
- Details on study design: HPLC method:
- Determination of retention time
The sample, dead time and reference standard solutions were injected in duplicate using the following HPLC parameters:
HPLC System: Agilent Technologies 1260, with workstation and autosampler
Detector types: variable wavelength (VW) mass selective (MS)
Column: XSelect HSS Cyano 5 µm (150 x 4.6 mm id)
Column temperature: 30 °C
Mobile phase: methanol:purified water (55:45 v/v)
pH of mobile phase: 5.8
Flow-rate: 1.0 mL/min
Injection volume: 10 µL
VW detector wavelength: 210 nm
Batch equilibrium or other method
- Details on test conditions:
- The test system utilized a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used.
Results and discussion
Adsorption coefficient
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 5.04 - <= 5.63
- pH:
- 5.8
- Temp.:
- 30 °C
Any other information on results incl. tables
Calibration
The retention times of the dead time and the retention times, capacity factors and log10 Koc values for the reference standards are shown in the following table:
Table 17
Standard | Retention Time (min) | Mean Retention Time (min) | Capacity Factor (k') | Log10 k' | Log10 Koc | |
Injection 1 | Injection 2 | |||||
Formamide (dead time) | 1.910 | 1.911 | 1.911 | - | - | - |
Acetanilide | 2.625 | 2.621 | 2.623 | 0.373 | -0.428 | 1.25 |
Atrazine | 3.610 | 3.612 | 3.611 | 0.890 | -5.06 x 10-2 | 1.81 |
Isoproturon | 3.846 | 3.845 | 3.846 | 1.01 | 5.53 x 10-3 | 1.86 |
Triadimenol | 5.133 | 5.139 | 5.136 | 1.69 | 0.228 | 2.40 |
Linuron | 5.283 | 5.283 | 5.283 | 1.77 | 0.247 | 2.59 |
Naphthalene | 4.566 | 4.571 | 4.569 | 1.39 | 0.143 | 2.75 |
Endosulfan-diol | 6.533 | 6.538 | 6.536 | 2.42 | 0.384 | 3.02 |
Fenthion | 7.785 | 7.797 | 7.791 | 3.08 | 0.488 | 3.31 |
a-Endosulfan | 10.928 | 10.949 | 10.939 | 4.73 | 0.674 | 4.09 |
Diclofop-methyl | 11.910 | 11.911 | 11.911 | 5.23 | 0.719 | 4.20 |
Phenanthrene | 8.530 | 8.471 | 8.501 | 3.45 | 0.538 | 4.09 |
DDT | 23.086 | 23.071 | 23.079 | 11.1 | 1.05 | 5.63 |
Adsorption Coefficient
The retention time, capacity factor and log10 Koc values determined for the sample are shown in the following table:
Table 18
Peak | Injection | Retention Time (min) | Capacity Factor (k') | Log10 k' | Log10 Koc | Mean | Koc |
1 | 1 | 18.502 | 8.68 | 0.939 | 5.05 | 5.04 | 1.11 x 105 |
2 | 18.498 | 8.68 | 0.939 | 5.05 | |||
2 | 1 | 21.306 | 10.2 | 1.01 | 5.27 | 5.27 | 1.84 x 105 |
2 | 21.325 | 10.2 | 1.01 | 5.27 | |||
3-5 | 1 | ≥23.576 | >11.3 | >1.05 | >5.63 | >5.63 | >4.27 x 105 |
2 | ≥23.573 | >11.3 | >1.05 | >5.63 |
Overall log10 Koc: Over the range 5.04 to >5.63
Overall adsorption coefficient: Over the range 1.11 x 105 to >4.27 x 105
Discussion
As a variable wavelength detector and a mass selective detector were used to detect the reference items and test item respectively, there was a short time difference. Therefore, the retention times of the test item were corrected by subtraction of this difference (0.040 minutes).
The ion mass (m/z 331.2) used to detect the test item represented the sodium adduct of the parent material.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficient of the test item has been determined to be over the range
1.11 x 105 to >4.27 x 105, log10 Koc of 5.04 to >5.63. - Executive summary:
The determination was carried out by the HPLC screening method, using a procedure designed to be compatible with Method C.19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
The adsorption coefficient of the test item has been determined to be over the range
1.11 x 105 to >4.27 x 105, log10 Koc of 5.04 to >5.63.
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.