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Diss Factsheets
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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
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- short-term repeated dose toxicity: oral
- 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:
- Principles of method if other than guideline:
- Data is predicted by QSAR toolbox version 2.3
- GLP compliance:
- not specified
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 28 days
- Remarks:
- Doses / Concentrations:
100 to 1500 mg/kg/day
Basis:
no data - Body weight and weight changes:
- effects observed, treatment-related
- Dose descriptor:
- NOEL
- Effect level:
- 1 208.092 other: mg/kg/day
- Based on:
- test mat.
- Sex:
- male
- Basis for effect level:
- other: General signs-no effect;change in body weight,no other adverse effect observed
- Critical effects observed:
- not specified
- Conclusions:
- Repeated dose toxicity NOEL(NO observed effect leve) of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium in rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 1208.092 mg/kg/day.
- Executive summary:
Repeated dose toxicity NOEL(NO observed effect leve) of bis(pentane-2,4-dionato-O,O') bis(propan-2-olato) titanium in rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 1208.092 mg/kg/day.On the basis of this NOELvalue it is concluded that the test substance is not toxic to rat by oral route for the above mentioned dose.
Reference
The prediction was based on dataset comprised from the following descriptors: NOEL,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 Activated halo-benzenes OR Allyl acetates and related chemicals OR alpha-Lactams OR MA: Direct Acylation Involving a Leaving group OR MA: Polarised Alkenes OR MA: Ring Opening Acylation OR MA: SN2 reaction at sp3 carbon atom OR MA: SNAr OR Mechanistic Domain: Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain: SN2 OR Mechanistic Domain: SNAr OR Polarised alkene - esters by Protein binding by OECD
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extension)
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of logP Multicase which is >= -1.79
Domain logical expression index: "i"
Parametric boundary:The target chemical should have a value of logP Multicase which is <= 0.961
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- 1 208.092 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- K2 level data obtained by QSAR estimation study
Repeated dose toxicity: inhalation - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose toxicity: inhalation
- Data waiving:
- other justification
- Justification for data waiving:
- other:
- Critical effects observed:
- not specified
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
Repeated dose toxicity: dermal - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose toxicity: dermal
- Data waiving:
- other justification
- Justification for data waiving:
- other:
- Critical effects observed:
- not specified
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
Additional information
Oral toxicity :
Repeated dose toxicity NOEL(NO observed effect leve) ofbis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium in rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 1208.092 mg/kg/day.On the basis of this NOELvalue it is concluded that the test substance is not toxic to rat by oral route for the above mentioned dose.
Dermal toxicity :
There are studies that indicate the acute dermal toxicity (LD50) was obtained to be more than 2000 mg/kg body weight. Also, this chemical do not have skin sensitization. Moreover, dermal route of exposure is not the most dominant route when considering the intermediate use of this substance. In view of all the above, this end point was considered for waiver.
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 repeated dose toxicity via oral route - systemic effects endpoint:
Repeated dose toxicity NOEL(NO observed effect leve) of bis(pentane-2,4-dionato-O,O') bis(propan-2-olato) titanium in rat (Sprague-Dawley) by the oral route was estimated at a dose concentration of 1208.092 mg/kg/day.On the basis of this NOELvalue it is concluded that the test substance is not toxic to rat by oral route for the above mentioned dose.
Justification for selection of repeated dose toxicity inhalation - systemic effects 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 repeated dose toxicity dermal - systemic effects endpoint:
There are studies that indicate the acute dermal toxicity (LD50) was obtained to be more than 2000 mg/kg body weight. Also, this chemical do not have skin sensitization. Moreover, dermal route of exposure is not the most dominant route when considering the intermediate use of this substance. In view of all the above, this end point was considered for waiver.
Justification for classification or non-classification
The repearted dose toxicity effect on oral, dermal and inhalation is negligible for the substance bis(pentane-2,4-dionato -O,O') bis (propan-2-olato)titanium.
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.
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