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Diss Factsheets
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EC number: 203-662-0 | CAS number: 109-29-5
- 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
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Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics, other
- Type of information:
- other: expert statement based on analysis of all available information
- Adequacy of study:
- key study
- Study period:
- March 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: expert statement based on analysis of all available information
Data source
Materials and methods
- Objective of study:
- absorption
- distribution
- excretion
- metabolism
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Expert statement based on the analysis of all available information on the substance, including physico-chemical properties and the results of toxicological studies.
- GLP compliance:
- no
Test material
- Reference substance name:
- Oxacycloheptadecan-2-one
- EC Number:
- 203-662-0
- EC Name:
- Oxacycloheptadecan-2-one
- Cas Number:
- 109-29-5
- Molecular formula:
- C16H30O2
- IUPAC Name:
- oxacycloheptadecan-2-one
Constituent 1
- Radiolabelling:
- no
Test animals
- Species:
- other: not applicable, toxicokinetic assessment
Results and discussion
Main ADME resultsopen allclose all
- Type:
- absorption
- Results:
- For risk assessment purposes, 10% absorption will be considered for all exposure routes.
- Type:
- distribution
- Results:
- Based on physico-chemical properties, accumulation in adipose tissue is possible. Based on very low solubility of the substance, its distribution in the body is unlikely.
- Type:
- metabolism
- Results:
- Toxtree v.2.6.13 predicts metabolism by aliphatic hydroxylation of primarily alpha-position of lactone moiety.
- Type:
- excretion
- Results:
- Based on physico-chemical properties, the main route of excretion is expected to be via faeces.
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- The physico-chemical properties of the substance, in particular its very low water solubility and high log Kow (4-7.3), suggest that its absorption from gastrointestinal tract will be limited. This is in agreement with the results of available toxicity studies, in which the substance was not acutely toxic by oral route up to and including dose level of 5000 mg/kg bw, and the results of the OECD guideline 422 study, in which no adverse effects or clinical signs of toxicity were seen at the highest dose level of 1000 mg/kg bw/day. Based on this, the value for oral absorption is set at 10%.
Although the substance has a high log Kow (range 4-7.3, the main constituent has most probably log Kow of 7.3), its molecular weight (254.41 g/mol) is below the cut-off value of 500 g/mol, when dermal absorption of 10% can be considered. However, considering very low water solubility of the substance, the lack of any adverse findings in the available repeated dose toxicity study and the fact that, in general, dermal absorption will not be higher than oral absorption, value of 10% will be considered for dermal absorption.
Oxacycloheptadecan-2-one is an opaque crystalline mass, without fine particles, under ambient conditions. Its vapour pressure is very low (<= 0.028 Pa). Therefore it is not likely that the substance will reach the nasopharyncheal region or subsequently the tracheo/bronchial/pulmonary region via inhalation of vapor or fine particles. If the substance reaches the tracheobronchial region, it is not likely to diffuse/dissolve into the mucus lining of the respiratory tract as it does not dissolve in water and its log Pow >7; hence, absorption is expected to be limited. Based on the above data, for risk assessment purposes the inhalation absorption of oxacycloheptadecan-2-one is set at 10%. - Details on distribution in tissues:
- Once absorbed, distribution of the test substance throughout the body is not expected based on its very low water solubility. Based on a limited distribution throughout the body but high partition coefficient the substance is expected to accumulate limitedly in adipose tissue.
- Details on excretion:
- Based on very low solubility and high log Kow of oxacycloheptadecan-2-one, the main route of excretion will probably be via faeces.
Metabolite characterisation studies
- Metabolites identified:
- no
- Details on metabolites:
- There is no evidence suggesting that the substance is metabolized in the body. The lack of adverse findings or clinical signs of toxicity in the available OECD guideline 422 study together with its physico-chemical properties suggest that the substance is probably poorly absorbed. Nevertheless, the metabolism of oxacycloheptadecan-2-one by CYP450 was predicted using Toxtree v 2.6.13. The primary metabolic pathway is considered to be aliphatic hydroxylation of the CH2 group in the alpha position to lactone moiety. As a secondary pathway, aliphatic hydroxylation at C9 or C10 position of the ring is predicted by Toxtree v 2.6.13.
Applicant's summary and conclusion
- Conclusions:
- The toxicokinetic assessment for oxacycloheptadecan-2-one was performed based on all available data. For risk assessment purposes, 10% absorption will be considered for all exposure routes. Once absorbed, distribution of the test substance throughout the body is not expected based on its very low water solubility. Based on a limited distribution throughout the body but high partition coefficient the substance is expected to accumulate limitedly in adipose tissue. The main route of excretion will probably be via faeces.
- Executive summary:
The toxicokinetic assessment for oxacycloheptadecan-2-one was performed based on all available data. In the available 28-day study with the reproductive and developmental toxicity screening no adverse effects or clinical signs of toxicity were observed at the highest tested dose of 1000 mg/kg bw/day. The substance is practically insoluble in water (water solubility 0.103 mg/L) and has a very high log Kow (range 4.0 -7.3). This in combination with the results of the available repeated dose study suggest that its absorption from gastrointestinal tract will be limited. For risk assessment purposes, 10% oral absorption will be considered in the lack of other data. Considering very low water solubility of the substance, its high log Pow and the fact that, in general, dermal absorption will not be higher than oral absorption, value of 10% will be considered for dermal absorption. Oxacycloheptadecan-2 -one is an opaque crystalline mass, without fine particles, under ambient conditions. Its vapour pressure is very low (<= 0.028 Pa). Therefore it is not likely that the substance will reach the nasopharyncheal region or subsequently the tracheo/bronchial/pulmonary region via inhalation of vapor or fine particles. If the substance reaches the tracheobronchial region, it is not likely to diffuse/dissolve into the mucus lining of the respiratory tract as it does not dissolve in water and its log Pow >7; hence, absorption is expected to be limited. Based on the above data, for risk assessment purposes the inhalation absorption of oxacycloheptadecan-2-one is set at 10%. Once absorbed, distribution of the test substance throughout the body is not expected based on its very low water solubility. Based on a limited distribution throughout the body but high partition coefficient the substance is expected to accumulate limitedly in adipose tissue. Considering very low water solubility and high log Pow of oxacycloheptadecan-2 -one, the main route of excretion is expected to be via faeces.
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.
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