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EC number: 205-851-3 | CAS number: 156-38-7
- 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, other
- 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 computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.01) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: p-hydroxyphenylacetic acid
- IUPAC name: 4-Hydroxyphenylacetic Acid
- Molecular formula: C8H8O3
- Molecular weight: 152.148 g/mole
- Smiles : c1(ccc(O)cc1)CC(O)=O
- Inchl: 1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
- Substance type: Organic
- Physical state: Solid crystalline powder (off white) - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: estimation
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- 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:
- Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for p-hydroxyphenylacetic acid (CAS No. 156-38-7) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical p-hydroxyphenylacetic acid is non bioaccumulative in food chain.
- Executive summary:
Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for p-hydroxyphenylacetic acid (CAS No. 156-38-7) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical p-hydroxyphenylacetic acid is non bioaccumulative in food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : c1(ccc(O)cc1)CC(=O)(O)
CHEM :
MOL FOR: C8 H8 O3
MOL WT : 152.15
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.049 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.11 (BAF = 1.28 L/kg wet-wt)
Log Kow (experimental): 0.75
Log Kow used by BCF estimates: 0.75
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
Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for p-hydroxyphenylacetic acid (CAS No. 156-38-7) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical p-hydroxyphenylacetic acid is non bioaccumulative in food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
Various predicted data for the target compoundp-hydroxyphenylacetic acid (CAS No. 156-38-7) and supporting weight of evidence studies for its structurally similar read across chemical were reviewed for the bioaccumulation end point which are summarized as below:
The first predicted data study was done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2018) the estimated bio concentration factor (BCF) for p-hydroxyphenylacetic acid (CAS No. 156-38-7) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical p-hydroxyphenylacetic acid is non bioaccumulative in food chain.
In another predicted data study the Bioconcentration factor (BCF) for test chemical p-hydroxyphenylacetic acid (CAS No: 156-38-7) was predicted in aquatic organisms by Scifinder database of American Chemical Society (ACS, 2017) at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance p-hydroxyphenylacetic acid at temperature 25 °C was estimated to be in range 1.46 - 1.97 dimensionless at pH range 1-4 and at pH range 5-10 BCF value estimated was 1.0 dimensionless. These BCF values at pH 1-10 and temperature 25 °C suggests that the test chemical p-hydroxyphenylacetic acid is non bioaccumulative in aquatic organisms.
In next predicted data study the Bioconcentration factor (BCF) for test chemical p-hydroxyphenylacetic acid (CAS No: 156-38-7) was predicted in aquatic organisms by Chemspider- ACD/PhysChem Suite of Royal Society of Chemistry (RCS, 2017) at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance p-hydroxyphenylacetic acid at pH 5.5 and 7.4 was estimated to be 1.0 dimensionless . This BCF value suggests that the test chemical p-hydroxyphenylacetic acid is non bioaccumulative in aquatic organisms.
Last predicted data stud 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 p-hydroxyphenylacetic acid (CAS no.156 -38 -7) was estimated to be 4.15 dimensionless . The predicted BCF result was based on the 5 OECD principles. Thus based on the result it is concluded that the test substance p-hydroxyphenylacetic acid is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.
Next study was experimental study done for structurally similar read across chemical 4-chlorophenoxyacetic acid in this study according to authoritative database the BCF value estimated was 3 dimensionless by,using a log Kow of 2.25 and a regression derived equation. This BCF value suggests the potential for bioconcentration in aquatic organisms is low.
On the basis of above results for target chemical p-hydroxyphenylacetic acid (CAS No. 156-38-7) (from EPI suite, 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 substancep-hydroxyphenylacetic acid (CAS No. 156-38-7) ranges from 1 to 4.15 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemicalp-hydroxyphenylacetic acid (CAS No. 156-38-7) is expected to be nonbioaccumulative in the food chain.
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