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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
Effects on fertility
Link to relevant study records
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- based on test type (migrated information)
- 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:
- Data is predicted by QSAR toolbox version 2.3
- GLP compliance:
- no
- Species:
- rat
- Strain:
- Brown Norway
- Sex:
- not specified
- Route of administration:
- oral: unspecified
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 90 days
- Remarks:
- Doses / Concentrations:
10 to 500 mg/kg/day
Basis:
no data - Remarks on result:
- not measured/tested
- Histopathological findings:
- effects observed, treatment-related
- Dose descriptor:
- LOEL
- Generation:
- F2
- Effect level:
- 306.58 other: mg/kg/day
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: Histopathological effect-Neoplastic lesions observed in organs.
- Critical effects observed:
- not specified
- Reproductive effects observed:
- not specified
- Conclusions:
- The two generation reproductive toxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium in Rattus norvegicus was observed at a dose concentration of 306.5797 mg/kg/day.
- Executive summary:
The two generation reproductive toxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium in Rattus norvegicus was observed at a dose concentration of 306.5797 mg/kg/day.This dose level do not exibit that the substance will have any toxic effect to reproduction in animals and so will not be considered for classification.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LOEL
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"
and "i" )
)
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 Allyl acetates and
related chemicals OR MA: Direct Acylation Involving a Leaving group OR
MA: Polarised Alkenes 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 by Protein binding by OECD
Domain
logical expression index: "g"
Similarity
boundary:Target:
C(C)(=O)(.[Ti])C={t}C(C)O{-}.C(C)(=O)C={t}C(C)O{-}.C(C)(C)O{-}.C(C)(C)O{-}
Threshold=40%,
Dice(Atom pairs)
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of logP Multicase which is >= -0.617
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of logP Multicase which is <= 2.02
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- 306.58 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- K2 level data obtained by QSAR estimation study
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Additional information
The two generation reproductive toxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis (propan-2-olato)titanium in Rattus norvegicus was observed at a dose concentration of 306.5797 mg/kg/day.This dose level do not exibit that the substance will have any toxic effect to reproduction in animals and so will not be considered for classification.
Short description of key information:
The target substance for not have toxicity effect to reproduction.
Justification for selection of Effect on fertility via oral route:
The two generation reproductive toxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium in Rattus norvegicus was observed at a dose concentration of 306.5797 mg/kg/day.
Effects on developmental toxicity
Description of key information
The fetotoxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumin in rabbit by oral exposure was observed at a dose concentration of 55.55463 mg/kg/day . This indicates that bis(pentane-2,4-dionato-O,O') bis(propan-2-olato)titanium shall not exhibit toxic effect to rabbit by the oral route below the above mention dose.
Link to relevant study records
- Endpoint:
- developmental toxicity
- 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:
- Data is predicted by QSAR toolbox version 2.3
- GLP compliance:
- no
- Species:
- rabbit
- Strain:
- New Zealand White
- Route of administration:
- oral: drinking water
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- Duration of treatment: Days 7-19 (post mating)
Post exposure period: 9 days - Duration of test:
- 28 days
- Remarks:
- Doses / Concentrations:
0, 12.2, 36.6 and 58.7 mg /kg/day
Basis:
no data - No. of animals per sex per dose:
- 17
- Maternal examinations:
- yes
- Fetal examinations:
- yes
- Remarks on result:
- not measured/tested
- Abnormalities:
- not specified
- Dose descriptor:
- LOEL
- Effect level:
- 55.555 other: mg/kg/day
- Based on:
- test mat.
- Basis for effect level:
- other: fetotoxicity
- Abnormalities:
- not specified
- Developmental effects observed:
- not specified
- Conclusions:
- The fetotoxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumin in rabbit by oral exposure was observed at a dose concentration of 55.55463 mg/kg/day . This indicates that bis(pentane-2,4-dionato-O,O') bis(propan-2-olato)titanium shall not exhibit toxic effect to rabbit by the oral route below the above mention dose.
- Executive summary:
The fetotoxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumin in rabbit by oral exposure was observed at a dose concentration of 55.55463 mg/kg/day . This indicates that bis(pentane-2,4-dionato-O,O') bis(propan-2-olato)titanium shall not exhibit toxic effect to rabbit by the oral route below the above mention dose.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LOEL
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 (
not "h")
)
)
and ("i"
and "j" )
)
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 DNA binding by
OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Aliphatic tertiary amines OR
Aromatic nitro OR MA: Iminium Ion Formation OR MA: Nitrenium Ion
Formation OR MA: Quinones and Quinone-type Chemicals OR Mechanistic
Domain: Michael addition OR Mechanistic Domain: SN1 OR Quinones by DNA
binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, without OH or NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of logP Multicase which is >= -0.373
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of logP Multicase which is <= 1.07
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- 55.554 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- K2 level data obtained by QSAR estimation study
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Additional information
The fetotoxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumin in rabbit by oral exposure was observed at a dose concentration of 55.55463 mg/kg/day . This indicates that bis(pentane-2,4-dionato-O,O') bis(propan-2-olato)titanium shall not exhibit toxic effect to rabbit by the oral route below the above mention dose.
Justification for selection of Effect on developmental toxicity: via oral route:
The fetotoxicity LOEL (Lowest observed effect level) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumin in rabbit by oral exposure was observed at a dose concentration of 55.55463 mg/kg/day . This indicates that bis(pentane-2,4-dionato-O,O') bis(propan-2-olato)titanium shall not exhibit toxic effect to rabbit by the oral route below the above mention dose.
Justification for classification or non-classification
It has been estimated that the target substance, bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium, do not show any toxicity effect to reproductive and teratogenic level and so cannot be considered for further classification.
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.