Registration Dossier
Registration Dossier
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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: 468-880-2 | CAS number: 102985-93-3
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Data waiving:
- other justification
- Justification for data waiving:
- other:
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2013-11-29
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction
- Qualifier:
- according to guideline
- Guideline:
- other: Scientifically accepted calculation method
- Deviations:
- no
- GLP compliance:
- no
- Radiolabelling:
- no
- Details on sampling:
- not applicable (theoretical calculation)
- Vehicle:
- not specified
- Details on preparation of test solutions, spiked fish food or sediment:
- not applicable (theoretical calculation)
- Test organisms (species):
- no data
- Details on test organisms:
- not applicable (theoretical calculation)
- Route of exposure:
- other: not applicable (theoretical calculation)
- Test type:
- other: not applicable (theoretical calculation)
- Water / sediment media type:
- not specified
- Hardness:
- not applicable (theoretical calculation)
- Test temperature:
- not applicable (theoretical calculation)
- pH:
- not applicable (theoretical calculation)
- Dissolved oxygen:
- not applicable (theoretical calculation)
- TOC:
- not applicable (theoretical calculation)
- Salinity:
- not applicable (theoretical calculation)
- Details on test conditions:
- not applicable (theoretical calculation)
- Nominal and measured concentrations:
- not applicable (theoretical calculation)
- Reference substance (positive control):
- not specified
- Details on estimation of bioconcentration:
- - Software: EPI Suite v4.11 program
- Input parameter: SMILES code O=CC(C)(C)COC(=O)CCCCCCCCCCC - Key result
- Type:
- BCF
- Value:
- 104.5 L/kg
- Calculation basis:
- other: estimation by calculation
- Type:
- other: log BCF
- Value:
- 2.019
- Details on kinetic parameters:
- not applicable (theoretical calculation)
- Metabolites:
- not applicable (theoretical calculation)
- Results with reference substance (positive control):
- not applicable (theoretical calculation)
- Details on results:
- Estimated Log BCF = 2.019 (BCF = 104.5 L/kg wet-wt)
- Reported statistics:
- not applicable (theoretical calculation)
- Conclusions:
- Using EpiSuite software the bioaccumulation factor of 2,2-dimethyl-3-oxopropyl dodecanoate was estimated by calculation to be Log BCF = 2.019 (BCF = 104.5 L/kg wet-wt).
- Executive summary:
Using EpiSuite software (v4.11) the bioaccumulation factor of 2,2-dimethyl-3-oxopropyl dodecanoate was estimated by calculation to be Log BCF = 2.019 (BCF = 104.5 L/kg wet-wt).
Referenceopen allclose all
Description of key information
The performance of bioaccumulation in aquatic species, preferably fish is scientifically unjustified.
Regulation (EC) No 1907/2006 (REACH), Annex IX, Sect. 9.3.2, Col. 2, states as follows:
9.3.2. The study need not be conducted if:
– the substance has a low potential for bioaccumulation (for instance a log Kow < 3) and/or a low potential to cross biological membranes; or
– direct and indirect exposure of the aquatic compartment is unlikely.
In accordance with column 2 of REACH Annex IX, bioaccumulation in aquatic species, preferably fish was not conducted since the substance is considered to have no bioaccumulation potential. Using EPIWIN 4.1 a BCF of 104.5 L/kg wet-wt (Log BCF = 2.019) was calculated indicating no bioaccumulative potential. Due to the hydrolytically unstable nature of the test substance, it can be assumed that upon contact with water and organic matter, the test substance undergoes rapid degradation resulting in the formation of respective degradation products.
Key value for chemical safety assessment
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.