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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
A mixture of: 4-(2,2,3-trimethylcyclopent-3-en-1-yl)-1-methyl-2-oxabicyclo[2.2.2]octane; 1-(2,2,3-trimethylcyclopent-3-en-1-yl)-5-methyl-6-oxabicyclo[3.2.1]octane; spiro[cyclohex-3-en-1-yl-[(4,5,6,6a-tetrahydro-3,6',6',6'a-tetramethyl)-1,3'(3'aH)-[2H]cyclopenta[b]furan]; spiro[cyclohex-3-en-1-yl-[4,5,6,6a-tetrahydro-4,6',6',6'a-tetramethyl)-1,3'(3'aH)-[2H]cyclopenta[b]]furan]
EC number: 422-040-1 | CAS number: 426218-78-2 CASSIFFIX
- 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)
Description of key information
The log Kow of Cassiffix based on average weight of all peaks is 4.72 +/- 0.0112 (OECD TG 123).
The log Kow of Cassiffix's key constituents ranged from 4.71 to 5.1 after refinement (OECD TG 123).
The log Kow of the key degradation product of Cassiffix is 3, using HPLC (eq to OECD TG 117). The values actually ranged from 2.5 -3 because the exact time zero (dead time) could not be established and some alternatives were used, which gave slightly different values.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.72
- at the temperature of:
- 25 °C
Additional information
The log Kow of Cassiffix has been determined in several studies. The key study is done with the slow stirring method (OECD TG 123). From the water simulation study according to OECD TG 309 the log Kow values of the four main constituents were derived and considered to be supporting information. The log Kow of the key degradation product was also determined from this OECD TG 309 study and considered to be key information for the PBT assessment.
Log Kow of Cassiffix determined in the OECD TG 123 study
For Cassiffix, its constituents and impurities > 1%, the log Kow values were determined using OECD TG 123. The substance was solved in water saturated with octanol and stirred for 48h. Thereafter the solutions were rested to phase out and thereafter samples were taken from the water and octanol phase to measure the concentration in the samples. GC was then used to find the peaks of the constituents and impurities. The weighted average of all peaks were used to determine the log Kow for the substance as a whole. The octanol / water concentrations were then divided to find this weighted average, which was 4.72. To further present the log Kow values of the individual peaks further work was done and seven key peaks were used to find the log Kow range. These seven peaks could not be related to the chemical structures of the constituents and impurities because these chemical structures are too similar. These log Kow values ranged from 4.71 to 5.1. For Cassiffix as a substance the weighted average value log Kow of 4.72 will be used for the risk assessment.
Log Kow of the degradation product of Cassiffix and supporting information from the log Kow of the four constituents of Cassiffix
Introduction: The octanol/water partition coefficient (Kow) for degradation product of Cassiffix formed during the aerobic mineralisation in surface water study (OECD TG 309) was measured using HPLC.
Method: Concentrated water samples extracted with radiolabelled Cassiffix were extracted with dichloromethane and water residue which remained after the extraction was concentrated on the rotary evaporator. The test item and its degradation product chromatograms were obtained by liquid chromatography analysis with radio detector (LC-RAD-MS). These chromatograms were used for Kow estimation. In the HPLC method of OECD 117 guideline the chromatographic system with methanol water mobile phase without gradient elution is described. However, in the present study different chromatographic conditions were used because for the degradation product TP-1 reference substance is not available and therefore the low Kow measures were conducted with chromatographic conditions as in the OECD TG 309 study as follows: Individual solutions of a reference substances and solution of reference substances mixture were analysed with liquid chromatography method with UV detection. Based on the retention times of the compounds the Kow and log Kow value of the TP-1 was estimated. Reference samples used had log Kow ranging from 1.1-5.7.
Results: For the Kow determination according to the OECD 117 guideline dead-time (t0) needs to be measured with unretained organic substance for which usually formamide is used. For determination of dead-time solution of formamide was prepared at concentration of 0.5 g/L. In the chromatogram of formamide one small peak was observed after injection peak. For the prepared concentration a more abundant peak was expected, but it can be observed that injection peak was much more abundant then in the blank solution. Based on this chromatogram, formamide either eluted with the injection peak or a small peak after injection peak can be attributed to formamide. In the latter case the sensitivity of UV detection is poor with the employed mobile phase. Because the dead-time was not precisely determined Pow was calculated for all the options i.e. for both injection peaks (t0,1=1.25 min and t0,2=1.35 min), for the peak eluting after injection peak (t0,3=1.50 min) and for the calculated dead-time for the used column (t0,4=1.79 min). This means that a range of log Kows are presented and not a single point value. For the constituents of Cassiffix log Kows were derived ranging from 5 to 5.5. These will not be used for assessment because more reliable values from the slow stirring method are available. For TP-1 the log Kow ranged from 2.5 to 3 and the log Kow value will be used for further assessment.
Conclusion: The key degradation product of Cassiffix has a log Kow of 3, which is considered to be at the high end of the real log Kow.
An earlier study in which the Log Kow for Cassiffix was determined using shake flask method is removed because better and newer information is available. This former study resulted in a log Kow > 3.66 based on the shake-flask method (OECD TG 107).
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.