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EC number: 204-185-0 | CAS number: 117-34-0
- 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
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Diphenylacetic acid
- Molecular formula: C14 H12 O2
- Molecular weight: 212.247 g/mol
- Smiles notation: C(c1ccccc1)(c1ccccc1)C(O)=O
- Inchl : 1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
- Substance type: Organic
- Physical state: Solid - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- 100 mg/L as CaCO3
- Test temperature:
- 21 ± 0.3 degree C
- pH:
- 7.45 ± 0.05
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 74.33 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Conclusions:
- The short term toxicity on aquatic invertebrates was predicted for diphenylacetic acid (CAS No.117-34-0). EC50 value was estimated to be 74.33mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
Based on this value it can be concluded that the diphenylacetic acid (CAS No.117-34-0) was considered to be toxic to aquatic invertebrates and can be considered to be classified in aquatic chronic 3 as per the CLP regulations. - Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for diphenylacetic acid (CAS No.117-34-0). EC50 value was estimated to be74.33mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
Based on this value it can be concluded that the diphenylacetic acid (CAS No.117-34-0) was considered to be toxic to aquatic invertebrates and can be considered to be classified in aquatic chronic 3 as per the CLP regulations.
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"
or "b" or "c" or "d" or "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid by
Organic Functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid by
Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aryl AND Carboxylic acid by
Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND
Aliphatic Carbon, two phenyl attach [-C-] AND Aromatic Carbon [C] AND
Carbonyl, aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or
oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Tertiary Carbon by
Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aromatic compound AND Carbonic
acid derivative AND Carboxylic acid AND Carboxylic acid derivative by
Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "g"
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: "h"
Referential
boundary: The
target chemical should be classified as Acid moiety OR Aliphatic Amines
OR Amides OR Anilines (Unhindered) OR Benzodioxoles OR Carbamate Esters
OR Esters OR Halopyrdines OR Hydrazines OR Hydroquinones OR Phenol
Amines OR Phenols OR Phenols, Poly OR Pyrazoles/Pyrroles OR
Pyridine-alpha OR Salt OR Vinyl/Allyl Alcohols OR Vinyl/Allyl Ethers OR
Vinyl/Allyl Ketones by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Amineptine (Hepatotoxicity) Alert OR
Griseofulvin (Hepatotoxicity) Alert OR Pirprofen (Hepatotoxicity) Alert
by Repeated dose (HESS)
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.52
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.77
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for diphenylacetic acid (CAS No.117-34-0). EC50 value was estimated to be 74.33 mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
Based on this value it can be concluded that the diphenylacetic acid (CAS No.117-34-0) was considered to be toxic to aquatic invertebrates and can be considered to be classified in aquatic chronic 3 as per the CLP regulations.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 74.33 mg/L
Additional information
Short term toxicity to aquatic invertebrates by diphenylacetic acid (CAS No.117-34-0) was summaries with one prediction data for target and two experimental studies of read across which are functionally similar are as follows:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted fordiphenylacetic acid (CAS No.117-34-0). EC50 value was estimated to be74.33mg/L on the basis of intoxication for Daphnia magna for 48 hrs duration.
A study on read across 5-(2, 5-dimethylphenoxy)-2, 2-dimethylpentanoic acid (25812-30-0) from Ecotox database 2016, for short term toxicity to aquatic invertebrates was performed in 5 Daphnia. Concentrations ranges from 17.01-28.69 mg/l. They were treated for 48 hrs. After 48 hrs, the EC 50 value for 5-(2, 5-dimethylphenoxy)-2, 2-dimethylpentanoic acid (25812-30-0) for daphnia magna was determined to be 22.85 mg/l on the basis of intoxication.
For the same read across, another test was performed in 5 Daphnia. Concentrations range from 42.2-72.3 mg/l. They were treated for 48 hrs. After the 48 hrs, the EC 50 value for 5-(2, 5-dimethylphenoxy)-2, 2-dimethylpentanoic acid (25812-30-0) for daphnia magna was determined to be 56.5 mg/l on the basis of intoxication.
As based on the above prediction for target chemical and experimental studies for read across 5-(2, 5-dimethylphenoxy)-2, 2-dimethylpentanoic acid (25812-30-0), all result values were come under the aquatic chronic 3 category. Thus based on that, diphenylacetic acid (CAS No.117-34-0) was considered to be toxic to aquatic invertebrates and can be classified in aquatic chronic 3 categories as per the CLP regulations.
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