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EC number: 204-052-7 | CAS number: 114-70-5
- 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 fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to 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:
- Data is from Danish (Q)SAR Database.
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Determination of estimated 96 hrs EC50 value of Sodium phenylacetate on fish by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. It is a continuous (Q)SAR model based on structural features and numeric molecular descriptors.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name( IUPAC): sodium 2-phenylacetate
- Name of test material (as cited in study report): Sodium phenylacetate
- Molecular formula C8H8O2.Na
- Molecular weight: 158.1313 g/mol
- Smiles notation : c1(ccccc1)CC(=O)[O-].[Na+]
- InChl: 1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
- Substance type: Organic
- Physical state: solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fathead minnow
- Test type:
- not specified
- Water media type:
- not specified
- Limit test:
- no
- Total exposure duration:
- 96 h
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 305.88
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: not toxic
- Conclusions:
- The estimated 96 hrs EC50 value of Sodium phenylacetate on Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is 305.88 mg/L. It can be concluded from the estimated value that the Sodium phenylacetate is not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.
- Executive summary:
The estimated 96 hrs EC50 value ofSodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is305.88mg/L. It can be concluded from the estimated value that theSodium phenylacetateis not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.
Reference
Description of key information
The estimated 96 hrs EC50 value ofSodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is305.88 mg/L. It can be concluded from the estimated value that the Sodium phenylacetate is not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 305.88 mg/L
Additional information
Following studies includes the predicted study of target chemical to conclude the Sodium phenylacetate (CAS: 114 -70 -5) toxicity towards the fish is summarized as below;
The estimated 96 hrs EC50 value of Sodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is 305.88 mg/L. It can be concluded from the estimated value that theSodium phenylacetateis not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.
The above study is supported by the similar predicted study from EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 3647.34 mg/l for Sodium phenylacetate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Sodium phenylacetate is not toxic to aquatic environment.
Another study from EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 4576.04 mg/l for Sodium phenylacetate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Sodium phenylacetate is not toxic to aquatic environment.
Thus based on the effect concentrations which is in the range 305.88 mg/l to4576.04 mg/lgive the conclusion that test substanceSodium phenylacetate (CAS: 114 -70 -5)is likely to be non-toxic to aquatic fish at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not classified” as per the CLP classification criteria.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.

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