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EC number: 204-541-5 | CAS number: 122-40-7
- 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:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from HSDB authoritative database
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Determination of environmental bioconcentration factor of the test substance (2E)-2-(phenylmethylidene)heptanal in fish using a log Kow and a regression derived equation.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: (2E)-2-(phenylmethylidene)heptanal
- Molecular formula: C14H18O
- Molecular weight: 202.2952 g/mol
- Smiles notation: c1(\C=C(\CCCCC)C=O)ccccc1
- InChl: 1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
- 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
- Reference substance (positive control):
- not specified
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Result based on calculated log Pow of: 4.70 - Key result
- Type:
- BCF
- Value:
- 586 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- other: BCF value of (2E)-2-(phenylmethylidene)heptanal was estimated using an estimated log Kow of 4.70 and a regression derived equation.
- Remarks on result:
- other: Other details not known
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated BCF (bioaccumulation factor) of test chemical (2E)-2-(phenylmethylidene)heptanal in fish was determined to be 586 dimensionless.
- Executive summary:
The bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2E)-2 -(phenylmethylidene)heptanal (CAS no. 122-40-7). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.07 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-2 -(phenylmethylidene)heptanal was determined to be 586 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2E)-2 -(phenylmethylidene)heptanal is considered to be non-accumulative in aquatic organisms.
Reference
Description of key information
The bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2E)-2 -(phenylmethylidene)heptanal (CAS no. 122-40-7). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.07 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-2 -(phenylmethylidene)heptanal was determined to be 586 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2E)-2 -(phenylmethylidene)heptanal is considered to be non-accumulative in aquatic organisms.
Key value for chemical safety assessment
- BCF (aquatic species):
- 586 dimensionless
Additional information
Experimental study and various predicted data for the target compound (2E)-2 -(phenylmethylidene)heptanal (CAS No. 122-40-7) and various supporting studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In an experimental key study from authoritative database (HSDB, 2017), bioaccumulation experiment in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (2E)-2 -(phenylmethylidene)heptanal (CAS no. 122-40-7). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.07 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-2 -(phenylmethylidene)heptanal was determined to be 586 dimensionless.
In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical (2E)-2-(phenylmethylidene)heptanal (CAS No. 122 -40 -7). The bioconcentration factor (BCF) of (2E)-2-(phenylmethylidene)heptanal was estimated to be 334 L/kg whole body w.w (at 25 deg C).
SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical (2E)-2-(phenylmethylidene)heptanal (CAS No. 122 -40 -7). The bioconcentration factor (BCF) of (2E)-2-(phenylmethylidene)heptanal was estimated to be 1200 (at 25 deg C).
In a supporting study from authoritative database (HSDB, 2017) for the read across chemical Benzaldehyde (CAS no. 100-52-7), bioaccumulation experiment in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical benzaldehyde. The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.48 and a regression derived equation. The BCF (bioaccumulation factor) value of benzaldehyde was determined to be 4.4 dimensionless.
Another bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical (2E)-3 -phenylprop-2 -enal (CAS no. 104 -55 -2) (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.9 and a regression derived equation. The BCF (bioaccumulation factor) value of (2E)-3 -phenylprop-2 -enal was determined to be 8 dimensionless.
In a supporting study from authoritative database (J-CHECK, 2017) for the read across chemical 4-butylbenzaldehyde (CAS no. 1200-14-2), bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of substance 4 -butylbenzaldehyde under static conditions. Test chemical nominal conc. used for the study were 0.05 mg/l and 0.005 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) 64.2 mg/l on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 3.8%.The bioconcentration factor (BCF value) of substance 4 -butylbenzaldehyde on Cyprinus carpio was determined to be < 2.4 L/Kg at a conc. of 0.05 mg/l and < 24 L/Kg at a conc. of 0.005 mg/l, respectively.
On the basis of above results for target chemical(2E)-2-(phenylmethylidene)heptanal(from authoritative database HSDB, EPI suite and Scifinder,2017) and for its read across substance (from authoritative database HSDB and J-CHECK, 2017), it can be concluded that the BCF value of test substance(2E)-2-(phenylmethylidene)heptanal ranges from 586 – 1200 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical (2E)-2-(phenylmethylidene)heptanal is not expected to bioaccumulate in the food chain.
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