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EC number: 201-803-0 | CAS number: 88-14-2
- 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 aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- The prediction was done by using OECD QSAR tool box v3.4
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 2-furoic acid
- IUPAC name: furan-2-carboxylic acid
- Molecular formula: C5H4O3
- Molecular weight: 112.084 g/mole
- Smiles : c1(C(O)=O)ccco1
- Inchl: 1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
- Substance type: Organic
- Physical state: Solid powder (Creamish white) - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 116.781 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Other details not available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 value was estimated to be 116.78 mg/l when test chemical 2- Furoic acid was exposed to daphnia magna for 48hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on daphnia magna predicted for 2-furoic acid. The EC50 value was estimated to be 116.78 mg/L when test chemical 2- furoic acid was exposed to daphnia magna for 48hrs.
Reference
The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a" and ("b" and ( not "c") ) ) and ("d" and ( not "e") ) ) and ("f" and ( not "g") ) ) and "h" ) and ("i" and ( not "j") ) ) and ("k" and ( not "l") ) ) and ("m" and ( not "n") ) ) and ("o" and ( not "p") ) ) and ("q" and "r" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Aromatic compound OR Carbonic acid derivative OR Heterocyclic compound by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASIS v.1.4
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Michael-type addition, quinoid structures OR AN2 >> Michael-type addition, quinoid structures >> Flavonoids OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >> Alpha, Beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base formation >> Alpha, Beta-Unsaturated Aldehydes OR Non-covalent interaction OR Non-covalent interaction >> DNA intercalation OR Non-covalent interaction >> DNA intercalation >> Organic Azides OR Non-covalent interaction >> DNA intercalation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR Radical OR Radical >> Radical mechanism by ROS formation OR Radical >> Radical mechanism by ROS formation >> Organic Azides OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Flavonoids OR SN1 OR SN1 >> Alkylation after metabolically formed carbenium ion species OR SN1 >> Alkylation after metabolically formed carbenium ion species >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR SN1 >> Nucleophilic attack after nitrene formation OR SN1 >> Nucleophilic attack after nitrene formation >> Organic Azides OR SN2 OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation OR SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives OR SN2 >> Direct acting epoxides formed after metabolic activation OR SN2 >> Direct acting epoxides formed after metabolic activation >> Quinoline Derivatives OR SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at an activated carbon atom >> Quinoline Derivatives by DNA binding by OASIS v.1.4
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR SN2 OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >> Isothiazol-3-ones (sulphur) OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals by Protein binding by OECD
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Not known precedent reproductive and developmental toxic potential by DART scheme v.1.0
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as AhR binders.Polycyclic aromatic hydrocarbons (PAHs) (3b-3) OR Known precedent reproductive and developmental toxic potential OR Metal atoms were identified OR Metals (1a) OR Not covered by current version of the decision tree OR Organophosphorus compounds (1b) OR Toluene and small alkyl toluene derivatives (8a) OR Triazole derivatives (13c) OR Tubolin interactors.Benzimidazole-like derivatives for precursors (6b-1, 2) OR Tubolin interactors.Benzimidazole-like derivatives for precursors (6b-1, 2) >> Benzimidazole-like derivatives / Precursors by DART scheme v.1.0
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Class 3 (unspecific reactivity) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Not Related to an Existing ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Aliphatic Amines OR Esters by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Not Related to an Existing ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "l"
Referential boundary: The target chemical should be classified as Vinyl/Allyl Ketones by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "m"
Referential boundary: The target chemical should be classified as Not Related to an Existing ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "n"
Referential boundary: The target chemical should be classified as Imidazoles by Aquatic toxicity classification by ECOSAR
Domain logical expression index: "o"
Referential boundary: The target chemical should be classified as Aromatic acid [-C(=O)-OH] AND Aromatic-H AND Furan or Thiofuran by Bioaccumulation - metabolism alerts
Domain logical expression index: "p"
Referential boundary: The target chemical should be classified as Unsubstituted Cycloalkane by Bioaccumulation - metabolism alerts
Domain logical expression index: "q"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0.049
Domain logical expression index: "r"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.03
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on daphnia magna predicted for 2-furoic acid. The EC50 value was estimated to be 116.78 mg/L when test chemical 2- furoic acid was exposed to daphnia magna for 48hrs.
Key value for chemical safety assessment
- EC50/LC50 for freshwater invertebrates:
- 116.78 mg/L
Additional information
Following studies include the predicted data and for the target chemical and and experimental study for structurally similar read across to conclude the toxicity extent of 2- furoic acid (CAS: 88-14-2) towards aquatic invertebrate are summarized as follows:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log Kow as the primary descriptor and considering the six closest read across substances, toxicity on daphnia magna predicted for 2-furoic acid. The EC50 value was estimated to be 116.78 mg/L when test chemical 2- furoic acid was exposed to daphnia magna for 48hrs.
In another study prediction was done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 3796.986 mg/L for test chemical 2 -furoic acid in 48 hrs.
Next predicted data study was based on the average value of both models (Leadscope Enterprise model and SciMatics SciQSAR model), the results were predicted in Battery model. Based on the Danish (Q)SAR Database, the 48 hours EC50 was estimated to be 106.54 mg/L on Daphnia Magna for substance 2 -furoic acid with immobilization effects.
The supporting experimental study done from authoritative database Ecotox (2017) in this study the short term toxicity to aquatic invertebrate i.e., Daphnia Magna was determined by exposing it to read across chemical furfuryl alcohol (CAS no. 98-00-0). LC 50 value was determined to be 115 mg/L. Since LC 50 value is greater than 100 mg/L read across chemical furfuryl alcohol is considered as not classified according to CLP classification criteria.
Another experimental study done from same source as mentioned above ( Ecotox, 2017) in this study the short term toxicity to aquatic invertebrate i.e., Daphnia Magna was determined by exposing it to fresh water containing read across chemical 2-Methylfuran (CAS no. 534-22-5) in static condition. LC50 value was determined to be 910 mg/L on the basis of intoxication of daphnia magna. Since LC 50 value is greater than 100 mg/L read across chemical 2-Methylfuran is considered as not classified according to CLP classification criteria.
Thus based on the effect concentrations which is in the range 106.54 - 3796.986 mg/L give the conclusion that test substance 2- furoic acid (CAS: 88-14-2) was likely to be toxic to aquatic invertebrate at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not Classified” as per the CLP classification criteria.
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