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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 test substance is not a skin but an eye irritant.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- 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
- Species:
- other: rat;rabbit
- Strain:
- not specified
- Type of coverage:
- other: open; occlusive
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Irritation parameter:
- primary dermal irritation index (PDII)
- Basis:
- mean
- Score:
- 1.91
- Max. score:
- 1.91
- Reversibility:
- no data
- Remarks on result:
- other: slightly irritating
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- By primary dermal irritation index (PDII) from QSAR , skin irritation score of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium estimated as 1.91.
- Executive summary:
By primary dermal irritation index (PDII) from QSAR , skin irritation score of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium estimated as 1.91 based on this estimation score it is indicated that bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium is slightly irritating to the skin of rat and rabbit. But the slight irritation is not sufficient to classify the substance is skin irritation 2 category.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Primary Irritation Index"
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 1-2-Dicarbonyls OR Acetates OR
MA: Direct Acting Schiff Base Formers OR MA: Direct Acylation Involving
a Leaving group OR MA: Polarised Alkenes OR Mechanistic Domain:
Acylation OR Mechanistic Domain: Michael addition OR Mechanistic Domain:
Schiff Base Formers OR Polarised alkene - esters OR Polarised alkene -
ketones 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 >= -0.537
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of logP Multicase which is <= -0.0183
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- 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
- Species:
- rabbit
- Strain:
- not specified
- Vehicle:
- not specified
- Duration of treatment / exposure:
- 1-3 days
- Irritation parameter:
- other: MMAS(modified maximum average score)
- Basis:
- mean
- Score:
- 45.4
- Max. score:
- 45.4
- Reversibility:
- not specified
- Remarks on result:
- other: irritating
- Interpretation of results:
- irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The modified maximum average score (MMAS) from QSAR eye irritation score of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium was estimated as 45.4.
- Executive summary:
The modified maximum average score (MMAS) from QSAR eye irritation score ofbis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titanium was estimated as 45.4. This score indicates that bis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titanium is irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating). From the end point value it can be indicated that the target is eye irritant in category 2 as per the C & L classification.
Reference
The prediction was based on dataset comprised from the following descriptors: MMAS
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 ("f" and "g" ) )
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 High (Class III) by Toxic hazard classification by Cramer (with extension)
Domain logical expression index: "f"
Parametric boundary:The target chemical should have a value of logP Multicase which is >= -0.939
Domain logical expression index: "g"
Parametric boundary:The target chemical should have a value of logP Multicase which is <= -0.0179
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation :
Based on studies of target substance bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium and readacross substances reviewed for skin irritation 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 |
Remark |
1. |
primary dermal irritation index (PDII) |
slightly irritating |
Rat and rabbit |
Predicted data QSAR |
2. |
- |
Not irritating |
- |
DEPA RA 14024-63-6 |
3. |
- |
Not irritating |
- |
DEPA RA 3264-82-2 |
By primary dermal irritation index (PDII) from QSAR , skin irritation score ofbis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumestimated as 1.91 based on this estimation score it is indicated thatbis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titaniumis slightly irritating to the skin of rat and rabbit. But the slight irritation is not sufficient to classify the substance is skin irritation 2 category. Also the structurally similar substance indicates that the substance do not show irritating charactistics on skin.
Eye irritation :
Based on studies of target substance bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium and readacross substances reviewed for eye irritation 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 |
Remark |
1. |
MMAS(modified maximum average score) |
irritating |
rabbit |
Predicted data |
2. |
Overall irritation score |
irritating |
rabbit |
Study report |
The modified maximum average score (MMAS) from QSAR eye irritation score ofbis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titaniumwas estimated as 45.4. This score indicates thatbis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titaniumis irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating). Also the data from study report of target substance indicates the substance to be irritating.From the end point value it can be indicated that the target is eye irritant in category 2 as per the C & L classification.
Justification for selection of skin irritation / corrosion endpoint:
By primary dermal irritation index (PDII) from QSAR , skin irritation score of bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium estimated as 1.91 based on this estimation score it is indicated that bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium is slightly irritating to the skin of rat and rabbit. But the slight irritation is not sufficient to classify the substance is skin irritation 2 category.
Justification for selection of eye irritation endpoint:
The modified maximum average score (MMAS) from QSAR eye irritation score ofbis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titanium was estimated as 45.4. This score indicates that bis(pentane-2,4-dionato-O,O')bis(propan-2-olato) titanium is irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating). From the end point value it can be indicated that the target is eye irritant in category 2 as per the C & L classification.
Effects on eye irritation: irritating
Justification for classification or non-classification
Though the target substance is estimated to be slighty irritating but the structurally similar substance indicates that the substance do not show irritating charactistics on skin. Regarding the eye irritation effect, the estimation indicates that the substance irritating to eye.
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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