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EC number: 235-527-7 | CAS number: 12262-58-7
- 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:
- 2014
- 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:
- yes
- Remarks:
- The test- and reference substances were dissolved in methanol instead of an organic solvent – water mixture.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- EC name: 1-hydroperoxycyclohexyl 1-hydroxycyclohexyl peroxide
Chemical name: Cyclohexanone peroxide
Trade name: Trigonox 113
CAS: 12262-58-7
Batch/Lot no.: 1305426766
Purity: 32.5% cyclohexanone peroxide
43.5% dimethyl phthalate
14.0% diacetone alcohol
Composition: see CoA
Appearance: Colorless clear liquid
Expiry date: June 1, 2015
Storage: approx. 5°C - Key result
- Type:
- log Pow
- Partition coefficient:
- 1.2
- Temp.:
- 29 °C
- Remarks on result:
- other: pH not noted
- Conclusions:
- The test substance contained several components of which cyclohexanone peroxide is considered as active substance. The 2 other main components present are dimethyl phthalate and diacetone alcohol. The retention times of pure substances of these 2 components were determined and compared with the retention times, determined for the test substance. By this it was possible to indicate the correct retention time of cyclohexanone peroxide in the test substance. With these results the average retention time of 2.64 min. could be assigned to the active component of the test substance, cyclohexanone peroxide.
In the test, the average measured Log Kow value for the test substance was calculated with the retention time from two injections, using the calibration plot of Log k versus Log Kow of the selected reference substances. The average measured Log Kow value for the test substance, as determined from the test, was 1.2. The test substance had a Kow of 1.4E+01. - Executive summary:
The purpose of this study was to determine the partition coefficient (n-octanol/water) of the test substance using the high performance liquid chromatography (HPLC) method, complying with the OECD Guideline No. 117.
In the test, the average measured Log Kowvalue for the test substance was calculated with the retention time from two injections, using the calibration plot of Log k versus Log Kowof the selected reference substances. The average measured Log Kowvalue for the test substance,as determined from the test, was 1.2. The test substance had a Kowof 1.4E+01.
Reference
Retention times test substance and 2 main components
Substance |
Average retention time |
Test substance |
1.90 – 2.64 – 3.27 |
Dimethyl phthalate |
3.34 |
Diacetone alcohol |
1.92 |
Data retention time and corresponding log k, log Kowdata
Substance |
log Kow theor. |
Average net |
Average |
Thiourea |
|
0 |
|
Aniline |
0.9 |
0.87 |
-0.23 |
Phenol |
1.5 |
1.15 |
-0.11 |
Methyl benzoate |
2.1 |
4.19 |
0.45 |
Bromobenzene |
3.0 |
12.35 |
0.92 |
Naphthalene |
3.6 |
18.21 |
1.09 |
Fluoranthene |
5.1 |
32.09 |
1.33 |
Cyclohexanone peroxide |
|
1.15 |
-0.11 |
Description of key information
The purpose of this study was to determine the partition coefficient (n-octanol/water) of the test substance using the high performance liquid chromatography (HPLC) method, complying with the OECD Guideline No. 117.
In the test, the average measured Log Kowvalue for the test substance was calculated with the retention time from two injections, usingthe calibration plot of Log k versus Log Kowof the selected reference substances. Theaverage measured Log Kowvalue for the test substance,as determined from the test, was 1.2.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.2
- at the temperature of:
- 29 °C
Additional information
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.