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Diss Factsheets
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EC number: 209-269-0 | CAS number: 564-20-5
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics, other
- Type of information:
- other: weight of evidence based on QSAR assessment and literature search
- Adequacy of study:
- weight of evidence
- Study period:
- 2022
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
- Objective of study:
- absorption
- distribution
- excretion
- metabolism
Test guideline
- Qualifier:
- no guideline required
- GLP compliance:
- no
Test material
- Reference substance name:
- [3aR-(3aα,5aβ,9aα,9bβ)]decahydro-3a,6,6,9a-tetramethylnaphth[2,1-b]furan-2(1H)-one
- EC Number:
- 209-269-0
- EC Name:
- [3aR-(3aα,5aβ,9aα,9bβ)]decahydro-3a,6,6,9a-tetramethylnaphth[2,1-b]furan-2(1H)-one
- Cas Number:
- 564-20-5
- Molecular formula:
- C16H26O2
- IUPAC Name:
- [3aR-(3aα,5aβ,9aα,9bβ)]decahydro-3a,6,6,9a-tetramethylnaphth[2,1-b]furan-2(1H)-one
- Test material form:
- solid
Constituent 1
Results and discussion
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- Due to lipophilic properties of the substance it is assumed it can be absorbed through the skin. No studies on dermal absorption have been performed.
- Details on distribution in tissues:
- No target organs toxicity has been observed in the performed studies. Nothing additional is known over distribution in tissues.
- Details on excretion:
- No studies have been performed on the substance excretion. Due to lipophilic properties of the substance, it may be excreted with urine from kidneys only once transformed to more hydrohilipc form. The substance can also be excreted via bile to intestinal tract, and then with feces.
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- QSAR assessment indiactes 7 potential sclareolide metabolites using rat liver S9 metabolsim simulator. SMILES of the metabolites are: CC1(C)CCCC2(C)C1CCC(C)(O)C2CC(O)=O; CC1(C)CCCC2(C)C1CCC1(CO)OC(=O)CC21; CC1(C)CCCC2(C)C1CCC1(OC(=O)CC21)C(O)=O; CC1(C)CCCC2(C)C1CCC1(OC(=O)CC21)C=O; CC1(CO)CCCC2(C)C1CCC1(C)OC(=O)CC12; CC12CCC3C(C)(CCCC3(C)C(O)=O)C1CC(=O)O2; CC12CCC3C(C)(CCCC3(C)C1CC(=O)O2)C=O
Bioaccessibility (or Bioavailability)
- Bioaccessibility (or Bioavailability) testing results:
- The substance can be considered as bioavailable if administered orally based on Lipinski's Rule of Five
Not more than 5 hydrogen bond donors (nitrogen or oxygen atoms with one or more hydrogen atoms);
Not more than 10 hydrogen bond acceptors (nitrogen or oxygen atoms);
A molecular weight under 500 g/mol;
A partition coefficient log P less than 5;
Applicant's summary and conclusion
- Conclusions:
- The substance can be absorbed both orally and dermally and may form a range of metabolites in the living organism. No effects from the metabolites have been observed. No target organs have been indicated based on the currently availbale studies. Due to lipohilicity urine excretion is only possible once the substance has been transformed to more hydrophilic form, bile excretion inot intestine is another possible route.
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