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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
Description of key information
The substance, bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium, is non toxic to oral and dermal route. in case of inhalation, this end point was considered for waiver since given the very low vapour pressure the exposure of humans via inhalation is highly unlikely and their is negligible possibility of exposure to aerosols, particles or droplets of an inhalable size..
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- 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
- Test type:
- standard acute method
- Species:
- rat
- Strain:
- Brown Norway
- Sex:
- not specified
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 2 038.904 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Sex details not known
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The acute oral median lethal dose (LD50) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium in Rattus norvegicus in 14 day study was estimated to be 2038.904 mg/kg.
- Executive summary:
The acute oral median lethal dose (LD50) ofbis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumin Rattus norvegicus in 14 day study was estimated to be 2038.904 mg/kg. This value indicates that bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium does not exhibits acute toxicity by the oral route.
Reference
The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Taking average 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 "h" ) )
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 No alert found by Protein binding by OECD
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Acetates OR MA: Direct Acylation Involving a Leaving group OR Mechanistic Domain: Acylation by Protein binding by OECD
Domain logical expression index: "g"
Parametric boundary:The target chemical should have a value of logP Multicase which is >= -0.292
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of logP Multicase which is <= 2.76
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 038 mg/kg bw
- Quality of whole database:
- K2 level data obtained by QSAR estimation study
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Reference
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- according to guideline
- Guideline:
- other:
- Principles of method if other than guideline:
- Range finding toxicity study
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Control animals:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 6 350 other: mg/kg
- Based on:
- test mat.
- Remarks on result:
- other: other details not known
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Acute dermal toxicity value of chromium(III) 4-oxopent-2-ene-2-olate to rabbit is found to be LD50: 6350 mg/kg
- Executive summary:
Acute dermal toxicity value of chromium(III) 4-oxopent-2-ene-2-olate to rabbit is found to be LD50: 6350 mg/kg. This end point result indicate that the substance will be non toxic to dermal category.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 6 350 mg/kg bw
- Quality of whole database:
- K2 level data
Additional information
Dermal toxicity:
Acute dermal toxicity value of chromium(III) 4-oxopent-2-ene-2-olate to rabbit is found to be LD50: 6350 mg/kg. This end point result indicate that the substance will be non toxic to dermal category. Since the substance is a read across for target susbtance so based ont he structurally similarity of the two substances it can be infered that the target substance will also be non toxic to dermal category.
Oral toxicity :
Based on studies of target substance bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium and readacross chromium(III) 4-oxopent-2-ene-2-olate reviewed for acute oral 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 |
Value |
Species |
Remark |
1. |
LD50 |
2038.904 mg/kg bw |
Rat |
Predicted data target |
2. |
LD50 |
5000 mg/kg bw |
Rat |
Study report |
3. |
LD50 |
2870 mg/kg |
Rat |
Study report |
4. | LD50 | 3360 mg/kg | Rat | Publication RA-21679 -31 -2 |
Based on above table, endpoint value was found to vary between2038.904mg/kg bw to5000 mg/kg bwwhich are much higher values. Sicne all the values are higher than 2000 mg/kg bw/d which is the criteria for classification towards acute toxicity, it is concluded that bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium does not exhibits acute toxicity by the oral route.
Inhalation toxicity :
In accordance with column 2 of Annex VIII, this end point was considered for waiver since given the very low vapour pressure of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium; exposure of humans via inhalation is highly unlikely and their is negligible possibility of exposure to aerosols, particles or droplets of an inhalable size.
Justification for selection of acute toxicity – oral endpoint
The acute oral median lethal dose (LD50) ofbis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumin Rattus norvegicus in 14 day study was estimated to be 2038.904 mg/kg. This value indicates that bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium does not exhibits acute toxicity by the oral route.
Justification for selection of acute toxicity – inhalation endpoint
In accordance with column 2 of Annex VIII, this end point was considered for waiver since given the very low vapour pressure of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium; exposure of humans via inhalation is highly unlikely and their is negligible possibility of exposure to aerosols, particles or droplets of an inhalable size.
Justification for selection of acute toxicity – dermal endpoint
Since the substance is a read across for target susbtance so based ont he structurally similarity of the two substances it can be infered that the target substance will also be non toxic to dermal category.
Justification for classification or non-classification
The substance, bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium, is non toxic to oral, dermal and inhalation route.
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