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EC number: 212-480-0 | CAS number: 821-55-6
- 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
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite model developed by the USEPA.
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF Program (v3.00) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2-Nonanone
- Molecular formula (if other than submission substance): C9H18O
- Molecular weight (if other than submission substance): 142.2402 g/mol
- Smiles notation (if other than submission substance): C(CCCCC)CC(C)=O
- InChI: 1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
- Substance type: Organic
- Physical state: Liquid - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 54.8 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 2-Nonanone is 54.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-Nonanone is not expected to bio accumulate in the food chain.
- Executive summary:
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 2-Nonanone is 54.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-Nonanone is not expected to bio accumulate in the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : O=C(CCCCCCC)C
CHEM : 2-Nonanone
MOL FOR: C9 H18 O1
MOL WT : 142.24
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.74 (BCF = 54.8 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.357 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 1.86 (BAF = 73.2 L/kg wet-wt)
Log Kow (experimental): 3.14
Log Kow used by BCF estimates: 3.14
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 1.739 (BCF = 54.8 L/kg wet-wt)
Description of key information
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 2-Nonanone is 54.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-Nonanone is not expected to bio accumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 54.8 L/kg ww
Additional information
Four different studies from validated predicted databases for bioaccumulation endpoint of target chemical 2-Nonanone (Cas no. 821-55-6) are summarized as followed:
First study from prediction report by BCFBAF Program (v3.00) model which indicate the estimated bio concentration factor (BCF) for 2-Nonanone is 54.8 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-Nonanone is not expected to bio accumulate in the food chain.
Another predicted database PBT profiler propose the Bioaccumulation factor (BCF) was predicted to be 55 L/kg wet-wt at 25 deg.C for test chemical 2-Nonanone.
And Scifinder database indicate the Bioconcentration factor (BCF) for target chemical 2-Nonanone was predicted to be 115 at pH 1-10 and temperature 25 deg.C. Based on the BCF concentration at all pH range i.e 1 -10 it is concluded that the test chemical 2-Nonanone is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Whereas Chemspider - ACD/PhysChem Suite prediction model indicate the Bioconcentration factor (BCF) for target chemical 2-Nonanone was estimated to be 185.37 at pH 5.5 and 7.4 at temperature 25 deg.C.
All predicted values for bioaccumulation is in the range of 54.8 -185.37 (L/kg or dimensionless) conclude the target chemical 2-Nonanone (Cas no. 821-55-6) is non bioaccumulative in aquatic environment as it does not exceed the BCF criteria of 2000 as per the CLP regulation.
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