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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
Developmental toxicity / teratogenicity
Administrative data
- 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
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for LOEL read across evaluation for 17927-72-9
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR toolbox Version 2.3
Materials and methods
Test guideline
- 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 material
- Reference substance name:
- Bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium
- EC Number:
- 241-866-1
- EC Name:
- Bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium
- Cas Number:
- 17927-72-9
- Molecular formula:
- C16H28O6Ti
- IUPAC Name:
- bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium
- Details on test material:
- - Name of test material: bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium
- Molecular formula: C16H28O6Ti
- Molecular weight: 364.26
- Substance type: Organic
Constituent 1
Test animals
- Species:
- rabbit
- Strain:
- New Zealand White
Administration / exposure
- 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
Doses / concentrations
- 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
Examinations
- Maternal examinations:
- yes
- Fetal examinations:
- yes
Results and discussion
Results: maternal animals
Effect levels (maternal animals)
- Remarks on result:
- not measured/tested
Maternal abnormalities
- Abnormalities:
- not specified
Results (fetuses)
Effect levels (fetuses)
- Dose descriptor:
- LOEL
- Effect level:
- 55.555 other: mg/kg/day
- Based on:
- test mat.
- Basis for effect level:
- other: fetotoxicity
Fetal abnormalities
- Abnormalities:
- not specified
Overall developmental toxicity
- Developmental effects observed:
- not specified
Any other information on results incl. tables
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
Applicant's summary and conclusion
- 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.
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