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EC number: 203-223-3 | CAS number: 104-65-4
- 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
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic /sediments:
Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for(2E)-3-phenylprop-2-en-1-yl formate (CAS No. 104-65-4) is 15.31 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical (2E)-3-phenylprop-2-en-1-yl formate is non bioaccumulative in food chain.
Additional information
Bioaccumulation: aquatic /sediments:
Various predicted data for the target compound(2E)-3-phenylprop-2-en-1-yl formate (CAS No. 104-65-4)and supporting weight of evidence study for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:
In first weight of evidence study bio concentration factor (BCF) value was estimated by using BCFBAF Program (v3.00) model of EPI suite (2017). The estimated BCF value for test chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS No. 104-65-4) was 15.31 L/kg wet-wt at 25 deg.
Another prediction was done by using Bio-concentration Factor (v12.1.0.50374) module ofACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) and bio-concentration Factor at range pH 1-14 of the chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS no.104 -65 -4) was estimated to be 25.2 dimensionless.
Next prediction was done by using SciFinder database ofAmerican Chemical Society (ACS, 2017) and the Bioconcentration factor (BCF) of test substance (2E)-3-phenylprop-2-en-1-yl formate at pH 1-10 and temperature 25 °C was estimated to be 23.3 dimensionless.
Another prediction was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the bioaccumulation i.e BCF for test substance (2E)-3-phenylprop-2-en-1-yl formate (CAS no.104 -65 -4) was estimated to be 13.5 dimensionless. The predicted BCF result was based on the 5 OECD principles.
One more prediction was done by using Chemspider- ACD/PhysChem Suite of Royal Society of Chemistry (ACS, 2017) and Bioconcentration factor (BCF) for test chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS No: 104-65-4) was estimated in aquatic organisms at pH 5.5 and pH 7.4. The Bioconcentration factor (BCF) of test substance (2E)-3-phenylprop-2-en-1-yl formate at pH 5.5 and pH 7.4 was estimated to be 34.12 dimensionless.
In supporting weight of evidence study the 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) from authoritative database ( 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.
Another supporting weight of evidence study done from same source as mentioned above ( HSDB, 2017) and the BCF (bioaccumulation factor) value of read across chemical (2E)-2 -(phenylmethylidene)heptanal (CAS no. 122-40-7) was determined. 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.
On the basis of above results for target chemical (2E)-3-phenylprop-2-en-1-yl formate (CAS No. 104-65-4)(from EPI suite, ACD labs, Sci Finder database, Chemspider and CompTox Chemistry Dashboard 2017) and for its read across chemicals (From HSDB) it can be concluded that the BCF value of test substance(2E)-3-phenylprop-2-en-1-yl formate ranges from 13.5 to 34.12 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical(2E)-3-phenylprop-2-en-1-yl formateis expected to be nonbioaccumulative in the food chain.
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