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EC number: 216-904-5 | CAS number: 1694-31-1
- 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from computational model developed by USEPA
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Estimation of 96 hr EC50 value of test chemical by modelling Database - ECOSAR v.1.11. The ECOSAR Class Program is a computerized version of the ECOSAR analysis procedures as currently practiced by the Office of Pollution Prevention and Toxics (OPPT). It has been developed within the regulatory constraints of the Toxic Substances Control Act (TSCA). It is a pragmatic approach to SAR. The structure-activity relationships (SARs) presented in this program are used to predict the aquatic toxicity of chemicals based on their similarity of structure to chemicals for which the aquatic toxicity has been previously measured. Most SAR calculations in the ECOSAR Class Program are based upon the octanol/water partition coefficient (Kow). Various surfactant SAR calculations are based upon the average length of carbon chains or the number of ethoxylate units.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): tert-butyl 3-oxobutanoate- Common name: tert-Butyl acetoacetate- Molecular formula: C8H14O3- Molecular weight:158.196 g/mol- Smiles notation: O(C(C)(C)C)C(CC(C)=O)=O- InChl: 1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3- Substance type: Organic
- Analytical monitoring:
- not required
- Vehicle:
- not specified
- Test organisms (species):
- other: green algae
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 96 h
- Remarks on exposure duration:
- Estimated data
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 459 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: Neutral Organics SAR (Baseline Toxicity)
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated EC50 values for aquatic green algae after 96 hours was 459 mg/l on the basis of growth rate.
- Executive summary:
The short-term toxicity of the test substance tert-butyl 3-oxobutanoate (CAS no.1694 -31 -1) to green algae is predicted using EPI Suite ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 459 mg/L. Based on this value, it can be concluded that the test chemical tert-butyl 3-oxobutanoate can be considered asnon-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.
Reference
Description of key information
Toxicity to aquatic algae and cyanobacteria:
The short-term toxicity of the test substancetert-butyl 3-oxobutanoate(CAS no.1694 -31 -1) to green algae is predicted using EPI Suite ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 459 mg/L. Based on this value, it can be concluded that the test chemicaltert-butyl 3-oxobutanoatecan be considered asnon-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 459 mg/L
Additional information
Toxicity to aquatic algae and cyanobacteria:
Data available for the predicted study of test matterial and structurally similar read across chemicals has been reviewed to determine the toxicity of aquatic invertebrate of the test chemical tert-butyl 3-oxobutanoate. The studies are as mentioned below:
1.The short-term toxicity of the test substancetert-butyl 3-oxobutanoate(CAS no.1694 -31 -1) to green algae is predicted using EPI Suite ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 459 mg/L. Based on this value, it can be concluded that the test chemicaltert-butyl 3-oxobutanoatecan be considered asnon-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.
2.Estimated 72 hrs EC50 value of test substance 241 mg/l on Pseudokirchneriella subcapitata was determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. The average EC50 value was given by the third model i.e, Battery model. Based on inhibition in growth rate of test organism Pseudokirchneriella subcapitata in a static freshwater system, the estimated 72 hrs EC50 value was predicted to be 241mg/l. Thus, on the basis of EC50 value, it can be concluded that the test chemicaltert-butyl 3-oxobutanoate can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.
3.Static algae bioassay was performed for the test material on multispecies batch cultures of green algae (chlorococcales, mainly Scenedesmus sp.),The effect on O2-prodcution was observed for 24 h .The effect concentration of test material on green algae after 24 h was observed to be >300 mg/l
4.Growth inhibition assay was performed for test material on green algae according to OECD Guideline 201.No effect o the growth effect was observed during and after 72 h studyThe effect concentration EC50 on green algae after 72 h was observed to be >1000 mg/l.
Based on these value it can be concluded that the substance is considered to be not toxic to aquatic environment and can not be classified in aquatic category as per the criteria mentioned in CLP regulation.
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