Bis(pentane-2,4-dionato-O,O')bis(propan-2-olato)titanium

Endpoint summary

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

Reference

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

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

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.

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

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

other justification

Justification for data waiving:

other:

Endpoint conclusion

Endpoint conclusion:

no study available

Acute toxicity: via dermal route

Link to relevant study records

Reference

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.

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.