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EC number: 241-866-1 | CAS number: 17927-72-9
- 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
The target substance do not show any genetic toxicity effect on the target substance, bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium. This inference is based on the estimation studies obtained for gene mutation and chromosome aberration.
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:
- weight of evidence
- 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:
- Data is predicted by 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 bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium 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 bis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titanium 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" ) and ("e" and ( not "f") ) ) and ("g" and ( not "h") ) ) and ("i" and ( not "j") ) ) and "k" ) and "l" ) and ("m" and "n" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Alcohol AND Alkene AND Allyl AND Enol AND Ketone AND Methyl by Organic functional groups
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Alcohol AND Allyl AND Enol AND Ketone by Organic functional groups (nested)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl, aliphatic attach [-C(=O)-] AND Carbonyl, olefinic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Anion by Organic functional groups, Norbert Haider (checkmol)
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as alpha,beta-carbonyl compounds with polarized double bonds AND MA: Michael addition on conjugated systems with electron withdrawing group AND Mechanistic Domain: Michael addition by Protein binding by OASIS
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Acid anhydride OR Activated alkyl esters OR Activated alkyl or aryl esters OR Activated electrophilic ethenylarenes OR Activated haloarenes OR Active cyclic agents OR Aldehydes OR alpha-activated benzyls OR alpha-activated haloalkanes OR alpha-haloalkanes OR alpha-ketoesters OR Amide OR Azomethyne type compounds OR Carbamates OR C-Nitroso compounds OR Diarylesters OR Diketones OR Dithiocarbamates OR Epoxides, Aziridines and Sulfuranes OR Isothiazolones derivatives OR Ketones OR Lactones_Michael addition OR MA: a,b-unsaturated carbonyl compounds OR MA: Addition to Carbon-hetero double/triple bond OR MA: Direct acylation involving a leaving group OR MA: Electrostatic interaction of tetraalkylammonium ions with protein carboxylates OR MA: Ester aminolysis OR MA: Ester aminolysis or thiolysis OR MA: Interchange reaction with sulphur containing compounds OR MA: Michael type addition on vinyl pirydines and activated ethenylarenes OR MA: Nucleophilic addition at polarized N-functional double bond OR MA: Nucleophilic aromatic substitution on activated halogens OR MA: Nucleophilic cycloaddition to diketones OR MA: Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations OR MA: Nucleophilic substitution at Nitrogen atom OR MA: Nucleophilic substitution at sp3 Carbon atom OR MA: Nucleophilic substitution on benzylic carbon atom OR MA: Pyrazolones and pyrazolidinones derivatives OR MA: Quinone type compounds OR MA: Ring opening acylation OR MA: Ring opening SN2 reaction OR MA: Schiff base formation with carbonyl compounds OR Mechanistic Domain: Acylation OR Mechanistic Domain: Ionic OR Mechanistic domain: Nucleophilic addition OR Mechanistic Domain: Schiff base formation OR Mechanistic Domain: SN1 OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR Mercury halides OR N-acylamides OR N-acylsulphonamides OR Naphthoquinone and naphthoquinone imines OR N-halogenated diketones or sulfoxides/sulfones OR Nitroalkenes OR No alert found OR Phosphonates OR Pyrazolones and pyrazolidinones OR Quinone (di)imines OR Tetraalkylammonium ions OR Thiols and disulfide compounds OR Vinyl pyridines OR Vinyl sulfonyl compounds by Protein binding by OASIS
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as No alert found by DNA binding by OECD
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Aliphatic tertiary amines OR Alkyl phenols OR Alpha, beta- unsaturated amides OR Alpha, beta- unsaturated esters OR Alpha, beta- unsaturated ketones OR Arenes OR Aromatic azo OR Aromatic nitro OR Furans OR Hydroquinones OR MA: Iminium Ion Formation OR MA: Nitrenium Ion Formation OR MA: P450 Mediated Activation of Heterocyclic Ring Systems OR MA: P450 Mediated Activation to Quinones and Quinone-type Chemicals OR MA: Polarised Alkenes_Michael addition OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN1 OR Methylenedioxyphenyl OR Secondary aromatic amine OR Tertiary aromatic amine OR Unsaturated heterocyclic nitro by DNA binding by OECD
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Acetates OR Allyl acetates and related chemicals OR alpha-Haloalkenes (and related cyano, sulfate and sulfonate subs. chem.) OR MA: Direct Acylation Involving a Leaving group OR MA: Polarised Alkenes OR MA: Quinones and Quinone-type Chemicals OR MA: SN2 reaction at a sp2 carbon atom OR MA: SN2 reaction at sp3 carbon atom OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN2 OR Polarised alkene - ketones OR Polarised alkenes with a halogen leaving group OR Pyranones (and related nitrogen chemicals) by Protein binding by OECD
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar
Domain logical expression index: "l"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments
Domain logical expression index: "m"
Parametric boundary:The target chemical should have a value of logP Multicase which is >= -0.898
Domain logical expression index: "n"
Parametric boundary:The target chemical should have a value of logP Multicase which is <= 2.63
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Additional information from genetic toxicity in vitro:
Genetic toxicity-
Based on the predicted data of target substance bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium and readacross substances reviewed for genetic toxicity from reliable sources having Klimisch rating 2 and 4 considering the weight of evidence approach.
The summary of the results are presented below
Sr. No |
End point |
Effect |
Species
|
Remarks |
1. |
In vitro Genetic toxicity
|
negative without metabolic activation
|
S. typhimurium TA 100
|
Predicted data of target chemical |
2. |
Gene mutation |
negative without metabolic activation |
S. typhimurium TA 1535 |
Predicted data of target chemical |
3. |
Chromosome aberration |
negative without metabolic activation |
Chinese hamster Lung (CHL) |
Predicted data of target chemical |
4. |
Gene mutation |
negative without metabolic activation |
Salmonella typhimurium TA92, TA98 and TA100 |
Publication RA 21679-31-2 |
Based on the results summarized in above table for the target chemical which is bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium and read across, it can be concluded that the substance is non-genotoxic.Thus bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium 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 bis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titanium does not exhibit positive gene mutation effect.
Justification for classification or non-classification
The target substance do not show any genetic toxicity effect on the target substance, bis(pentane-2,4-dionato-O,O')bis (propan-2-olato)titanium.
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