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EC number: 203-139-7 | CAS number: 103-73-1
- 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
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
Phenetole was found to be non-genotoxic.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 2.3.
- GLP compliance:
- no
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 100
- Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- without
- Metabolic activation system:
- S9
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- not specified
- Untreated negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
- Conclusions:
- Interpretation of results (migrated information):
negative without metabolic activation
Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 100 without S9 metabolic activation it was estimated that Phenetole does not exhibit positive gene mutation effect. - Executive summary:
Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 100 without S9 metabolic activation it was estimated that Phenetole does not exhibit positive gene mutation effect.
Reference
The prediction was based on dataset comprised from the following descriptors: "Gene mutation"
Estimation method: Taking highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a" or "b" or "c" or "d" or "e" or "f" ) and "g" ) and ("h" and ( not "i") ) ) and ("j" and ( not "k") ) ) and ("l" and ( not "m") ) ) and ("n" and ( not "o") ) ) and ("p" and "q" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Arene AND Ether AND Methyl AND Methylene by Organic functional groups
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Alkoxy AND Aryl AND Ether AND Methyl AND Methylene by Organic Functional groups (extended)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Arene AND Ether by Organic functional groups (nested)
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Alkoxy AND Aryl AND Ether AND Overlapping groups by Organic Functional groups (nested)(extended)
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA)
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Alkylarylether AND Aromatic compound AND Ether by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "g"
Similarity boundary:Target: c1(OCC)ccccc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Aliphatic halides OR Aliphatic tertiary amines OR Alkyl phenols OR Allyl benzenes OR Alpha, beta- unsaturated ketones OR Arenes OR Aromatic N-hydroxylamines OR Aromatic nitro OR Aromatic nitroso OR Aromatic phenylureas OR Epoxides OR Hydroquinones OR MA: Carbenium Ion Formation OR MA: Direct Acting Epoxides and related OR MA: Epoxidation of Aliphatic Alkenes OR MA: Iminium Ion Formation OR MA: Nitrenium Ion Formation OR MA: Nitrosation_SN2 OR MA: P450 Mediated Activation to Quinones and Quinone-type Chemicals OR MA: Polarised Alkenes_Michael addition OR MA: Quinones and Quinone-type Chemicals OR MA: SN2 at an sp3 Carbon atom OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 OR Methylenedioxyphenyl OR Nitroso_SN2 OR N-Nitroso (alkylation) OR Phenoxy polarised alkenes OR Primary (unsaturated) heterocyclic amine OR Primary aromatic amine OR Quinones OR Secondary aromatic amine OR Sulfonates OR Tertiary aromatic amine by DNA binding by OECD
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Acetates OR Activated halo-benzenes OR alpha-Halocarbonyls OR MA: Direct Acting Schiff Base Formers OR MA: Direct Acylation Involving a Leaving group OR MA: Polarised Alkenes OR MA: SN2 reaction at sp3 carbon atom OR MA: SNAr OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: Schiff Base Formers OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR Mono-carbonyls OR Polarised alkene - aldehydes OR Thiophosphates by Protein binding by OECD
Domain logical expression index: "l"
Referential boundary: The target chemical should be classified as No alerts for carcinogenic activity by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain logical expression index: "m"
Referential boundary: The target chemical should be classified as Alkylbenzenes (Genotox) OR Halogenated benzene (Nongenotox) OR Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox) OR o-phenylphenol (Nongenotox) OR Simple aldehyde (Genotox) OR Structural alert for genotoxic carcinogenicity OR Structural alert for nongenotoxic carcinogenicity OR Substituted phenoxyacid (Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain logical expression index: "n"
Referential boundary: The target chemical should be classified as (N/A) by Oncologic Primary Classification
Domain logical expression index: "o"
Referential boundary: The target chemical should be classified as Aromatic Amine Type Compounds OR Carbamate Type Compounds OR Phenol Type Compounds OR Polycyclic Aromatic Hydrocarbons - Homocyclic by Oncologic Primary Classification
Domain logical expression index: "p"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.47
Domain logical expression index: "q"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.71
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Additional information from genetic toxicity in vitro:
Genetic toxicity-
Based on studies of target substance and read across reviewed for Genetic toxicity from reliable sources having Klimisch rating 2 and 4 considering weight of evidence approach. The results are summarized as follows-
Sr. No |
End point |
Effect |
Species
|
Remarks |
1. |
Gene mutation(Ames test) |
Negative without metabolic activation |
S. typhimurium TA 100 |
Predicted data of target chemical |
2. |
Chromosome aberration
|
Negative without metabolic activation |
Chinese hamster Lung (CHL) |
Predicted data of target chemical |
3. |
Gene mutation |
Negative |
Mouse lymphoma |
DEPA |
4. |
DNA damage and/or repair |
Negative |
Rat hepatocytes |
DEPA |
5. |
Gene mutation |
Negative |
Chinese hamster ovary cell |
DEPA |
Based on results summarized in above table for the target phenetole, it can be concluded that the substance is non-genotoxic .Thus phenetole is considered to be not skin irritant as the criteria of CLP regulation.Thus phenetole is considered to be non-genetic toxic substance.
Justification for selection of genetic toxicity endpoint
Based on the prediction for in-vitro bacterial reverse mutation assay test on Salmonella typhimurium strain TA 100 without S9 metabolic activation it was estimated that Phenetole does not exhibit positive gene mutation effect. Also the chromosome aberration is based on the prediction for in-vitro mammalian chromosome aberration test on Chinese hamster Lung (CHL) without S9 metabolic activation it was estimated that Phenetole does not exhibit positive chromosomal effect.
Justification for classification or non-classification
Phenetole shows negative activity as is the case for chromosome abberation for the same substance.
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