Registration Dossier
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EC number: 202-336-5 | CAS number: 94-47-3
- 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
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- Explosiveness
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- 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
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- Nanomaterial aspect ratio / shape
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- 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
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- Additional toxicological data

Endpoint summary
Administrative data
Description of key information
Bioaccumulation in aquatic and sediment
The BCFBAF Program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Test chemical is 158.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical is not expected to bio accumulate in the aquatic environment.
Additional information
Bioaccumulation in aquatic and sediment
Various predicted data for the test chemical and supporting weight of evidence studies for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:
The BCFBAF Program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Test chemical is 158.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical is not expected to bio accumulate in the aquatic environment.
In another prediction done using Bio-concentration Factor (v12.1.0.50374)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) module Bio-concentration Factor over the entire pH scale of the 2-phenylethyl benzoate estimated to be 947 dimensionless.
Another predicted data was estimated using Sci Finder database ( American Chemical Society (ACS), 2017) The Bioconcentration factor (BCF) for test chemical was predicted in aquatic organisms at pH 1-10 and temperature 25 °C was 775 dimensionless. .
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 was estimated to be 8.23 dimensionless .
Using Chemspider-ACD/Phychem suite prediction model the Bioconcentration factor (BCF) for test chemical was predicted in aquatic organisms was 575.03 dimensionless at pH 5.5 and pH 7.4. at temperature 25 deg C.
In a supporting study from authoritative database the BCF value for the test chemical was 62 dimensionless and it is predicted from regression derived equation and water solubility 59 mg/L.
In another supporting study from authoritative database the BCF value for test chemical was 46 dimensionless and it is estimated by using log Kow of 3.06 and regression derived equation.
On the basis of above results for test chemical (from EPI suite, ACD labs, SciFinder database, CompTox Chemistry Dashboard and ChemSpider,2017) and from authoritative database HSDB, it can be concluded that the BCF value of test substance ranges from 8.23– 947 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical is not expected to bioaccumulate in the food chain.
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