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EC number: 235-970-6 | CAS number: 13074-65-2
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
Description of key information
Jasmatone (2-hexylcyclopentanone) was predicted to have a 48-hr Daphnid LC50 of 3.99 mg/L using the ECOSAR (v1.11) neutral organics SAR. A closely structurally-related compound, Projasmon P (2-heptylcyclopentanone), was found in a guideline and GLP study to have an EC50 (48 hr) of 1.85 mg/L. The latter is considered a worst-case conservative estimate based on the relative log Kow values of the registration substance (3.9, measured value) and analogue substance (4.0, measured value).
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 3.99 mg/L
Additional information
A weight-of-evidence approach has been used to assess the short-term aquatic toxicity to aquatic invertebrates based on a QSAR prediction for the registration substance, 2-hexylcyclopentanone (tradename: Jasmatone), and a valid study for the analogue substance, 2-heptylcyclopentanone (tradename: Projasmon P).
A QSAR prediction on the registration substance was undertaken using ECOSAR v1.11 (Neutral Organics ECOSAR class). The 48-hour daphnid LC50 was predicted to be 3.99 mg/L. The predicted value is considered reliable taking into account that the QSAR model is scientifically valid and Jasmatone falls within its applicability domain. The reliability is also supported by predicted and experimental data for analogues in the ECOSAR database (closest neighbours in the log Kow descriptor space) and the structural analogue, 2-heptylcyclopentanone which has an experimental value of 1.85 mg/L (see next paragraph) and which is predicted by ECOSAR v1.11 to have a daphnid LC50 of 1.639 mg/L.
A valid study is available for the analogue substance, 2 -heptylcyclopentanone (tradename: Projasmon P). The daphnid EC50 was determined to be 1.85 mg/L in a guideline, GLP study. The read-across is considered reliable on the basis of structural similarities (both substances are 2 -alkyl substituted cyclopentanones), the same aquatic toxicity mode of action class (neutral organic) and similar physicochemical properties. Moreover, given that aquatic toxicity increases with log Kow, the read-cross substance is expected to be more toxic than the registration substance (see table below) and hence the analogue value of 1.85mg/L is considered a worst-case conservative estimate for the aquatic toxicity of Jasmatone.
|
REGISTRATION SUBSTANCE (2-hexylcyclopentanone) CAS No. 13074-65-2 |
ANALOGUE SUBSTANCE Projasmon P (2-heptylcyclopentanone) CAS No.137-03-1 |
Measured log Kow |
3.911 |
4.42 |
Estimated log Kow (EPISuite/Kowwin v1.68) |
3.508 |
3.999 |
Measured Daphnia 48hr LC50 |
- |
1.85 mg/L |
Estimated Daphnia 48hr LC50 (ECOSAR v1.11) |
3.991 mg/L |
1.639 mg/L |
1Measured
value presented in this dossier
2 Measured
value taken from internal study report 14-E016 owned by the Lead
Registrant
Both the QSAR predicted value of 3.99 mg/L and the read-across experimental value of 1.85 mg/L fall within the same acute aquatic hazard classification criterion range: E(L)C50 > 1 mg/L and <= 10 mg/L. Thus the above weight-of-evidence approach is considered suitable for regulatory purposes.
Given that the read-across value is a conservative estimate (see discussion and table above), the reliable QSAR predicted value of 3.99 mg/L is considered a more realistic estimate of the aquatic toxicity of Jasmtone and as such has been selected as the key value.
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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