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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 418-420-1 | 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
![](https://poisoncentres.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
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:
- 21 August 1998 - 02 March 1999
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 3.8
- Remarks on result:
- other: Result for "Isomer 1" - definition of "Isomer 1" not defined
- Type:
- log Pow
- Partition coefficient:
- 3.9
- Remarks on result:
- other: Result for "Isomer 2" - definition of "Isomer 2" not defined
- Details on results:
- The dead time for the column was found to be 2.8 mins.The log K for both isomers of TBE was calculated and used to determine the partition coefficient log (Pow) by interpolation against a plot log K vs log Pow for reference compounds.Two peaks for TBE were detected and identifed as "Isomer 1" and "Isomer 2".The partition coefficient log (Pow) for Isomoer 1 and Isomer 2 were 3.8 and 3.9, respectively.
- Conclusions:
- The partition coefficient for TBE has been established in accordance with OECD 117 (1998) using the HPLC method.TBE log Pow values of 3.8 and 3.9 for Isomer 1 and 2, respectively, were established.
- Executive summary:
The partition coefficient for TBE has been established in accordance with OECD 117 (1998) using the HPLC method.
TBE consists of 4 isomers, a mixture of two positional isomers 4 -t-Butyl and 5 -t-Butyl-2 hydroxycyclohexyl-methacrylate, each of which also exist as two conformational isomers; trans and cis. The partition co-efficient was determined by HPLC for 2 isomers which were identified as Isomer 1 and Isomer 2 (for the purpose of this summary).
TBE was dissolved in mobile phase (methanol: water, 70:30 v/v) and subjected to HPLC analysis using methodology detailed in methods section of this summary. A correlation plot of log K vs log P from appropriate reference standards was used to calculate the log Pow for the test item isomers.
TBE log Pow values of 3.8 and 3.9 for Isomer 1 and 2, respectively, were established.
Reference
Reference Standard: log k and log Pow Values;
Reference Standard | Retention Time (min) | k Value | log k Value | εlog Pow Value |
1-Naphthol | 4.13 | 0.48 | -0.32 | 2.7 |
Benzophenone | 5.74 | 1.05 | 0.02 | 3.2 |
#Bromobenzene | 5.90 | 1.11 | 0.05 | 3.0 |
Naphthalene | 6.90 | 1.46 | 0.16 | 3.6 |
Phenyl ether | 7.93 | 1.83 | 0.26 | 4.2 |
Fluranthene | 21.44 | 6.66 | 0.82 | 4.7 |
ε = values taken from OECD 117
TBE Isomers: log k and log Pow Values;
Sample ID | Replicate | Retention Time (min) | k Value | εlog Pow Value | Mean log Pow Value |
TBE (Isomer 1) | 1 | 7.40 | 1.65 | 3.7 | 3.8 |
2 | 7.48 | 1.67 | 3.8 | ||
TBE (Isomer 2) | 1 | 8.36 | 1.99 | 3.9 | 3.9 |
2 | 8.46 | 2.02 | 3.9 |
Description of key information
Partition coefficient (Log Pow) = 3.8 - 3.9; OECD 117, 1989 (GLP); Hogg and Scott (1999)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.9
Additional information
The partition coefficient of TBE was determined in a GLP study conducted in accordance with OECD 117 (HPLC method). The Log Pow was determined to be 3.8 - 3.9 (Hogg & Scott, 1999).
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.
![ECHA](/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/echa_logo.png)