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EC number: 203-166-4 | CAS number: 104-01-8
- 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:
- 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:
- Estimated data generated using the EPI Suite model developed by the USEPA.
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Prediction done using BCFBAF Program (v3.00) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of the test material: 4-methoxyphenylacetic acid
- Molecular formula: C9H10O3
- Molecular weight: 166.175 g/mol
- SMILES: c1(ccc(OC)cc1)CC(O)=O
- InChI: 1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- Substance type: Organic
- Physical state: Solid - 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
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-methoxyphenylacetic acid is not expected to bio accumulate in the food chain.
- Executive summary:
The estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-methoxyphenylacetic acid is not expected to bio accumulate in the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : O=C(O)Cc(ccc(OC)c1)c1
CHEM : Benzeneacetic acid, 4-methoxy-
MOL FOR: C9 H10 O3
MOL WT : 166.18
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.323 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.54 (BAF = 3.46 L/kg wet-wt)
Log Kow (experimental): 1.42
Log Kow used by BCF estimates: 1.42
Equation Used to Make BCF estimate:
Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
Description of key information
From prediction model BCFBAF Program (v3.00) by EPI SUITE;2017 the estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 4-methoxyphenylacetic acid is not expected to bio accumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
By applying weight of evidence approach Experimental and Predicted data of Bioaccumulation endpoint for the target chemical 4-methoxyphenylacetic acid (Cas no. 104-01-8) and its read across chemical were reviewed to summarize as follows:
Study 1:
From prediction model BCFBAF Program (v3.00) by EPI SUITE;2017 the estimated bio concentration factor (BCF) for 4-methoxyphenylacetic acid is 3.162 L/kg wet-wt at 25 deg.C for target 4-methoxyphenylacetic acid.
Study 2:
Similarly other prediction model PBT profiler; 2017 indicate that the Bioaccumulation factor (BCF) was predicted to be 3.2 L/kg wet-wt at 25 deg.C for 4-methoxyphenylacetic acid.
Study 3:
Another predicted database i.e Scifinder; 2017 for target substance indicated the Bioconcentration factor (BCF) for target chemical 4-methoxyphenylacetic acid was predicted to be 5.10 at pH 1,5.09 at pH 2,4.93 at pH3, 3.76 at pH 4, 1.12 at pH 5, 1.0 at pH 6-10 and temperature 25 deg.C.
Study 4:
And Chemspider - ACD/PhysChem Suite predicted model the Bioconcentration factor (BCF) for target chemical 4-methoxyphenylacetic acid was predicted to be 1.00 at pH 5.5 and 7.4 at temperature 25 deg.C.
All 4 studies of target chemical based predicted models it is concluded that the test chemical 4-methoxyphenylacetic acid is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Study 5:
And from HSDB database; 2017 the read across chemical 4-chlorophenoxyacetic acid (Cas no. 122-88-3) indicate an estimated BCF of 3 was calculated for 4-chlorophenoxyacetic acid, using a log Kow of 2.25 and a regression derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low.
Study 5 also support to predicted studies for target chemical.
Thus based on the above all studies it is concluded that the test substance chemical 4-methoxyphenylacetic acid (Cas no. 104-01-8) is non Bioaccumulative in aquatic environment.
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