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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
short-term repeated dose toxicity: dermal
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 3.1: 672 mg/kg bw/day (nominal); Estimation for NOAEL for CAS 542-05-2
Author:
Sustainability Support Services (Europe) AB
Year:
2013
Bibliographic source:
QSAR Toolbox version 3.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 410 (Repeated Dose Dermal Toxicity: 21/28-Day Study)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3-oxoglutaric acid
EC Number:
208-797-9
EC Name:
3-oxoglutaric acid
Cas Number:
542-05-2
Molecular formula:
C5H6O5
IUPAC Name:
3-oxopentanedioic acid
Details on test material:
SMILES:C(=O)(O)CC(=O)CC(=O)O

Test animals

Species:
rabbit
Strain:
New Zealand White
Sex:
not specified

Administration / exposure

Type of coverage:
occlusive
Vehicle:
not specified
Duration of treatment / exposure:
21-28 days
No. of animals per sex per dose:
unspecified

Results and discussion

Effect levels

Dose descriptor:
NOAEL
Effect level:
671.75 mg/kg bw/day (nominal)
Based on:
test mat.
Sex:
not specified

Target system / organ toxicity

Critical effects observed:
not specified

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: NOAEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(("a" and ("b" and ( not "c") )  )  and ("d" and "e" )  )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)CC(=O)CC(=O)O
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Schiff base formation OR Schiff base formation >> Nucleophilic cycloaddition to diketones OR Schiff base formation >> Nucleophilic cycloaddition to diketones >> Diketones by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is >= -3.81

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.687

Applicant's summary and conclusion

Conclusions:
Repeated dose toxicity NOAEL (No observed adverse effect level) of 3-oxoglutaric acid to rabbit by the dermal route was estimated at a dose concentration of 671.75 mg/kg bw/day.On the basis of this NOAEL value it is concluded that the test substance is not toxic to rabbit by the dermal route below the above mentioned dose.
Executive summary:

Repeated dose toxicity NOAEL (No observed adverse effect level) of 3-oxoglutaric acid to rabbit by the dermal route was estimated at a dose concentration of 671.75 mg/kg bw/day.On the basis of this NOAEL value it is concluded that the test substance is not toxic to rabbit by the dermal route below the above mentioned dose.

In the absence of experimental data for the repeated dose toxicity, the predicted value is considered to be reliable pointer of the low toxicity potential of 3 -oxoglutaric acid. This is also supported by data available in certain literature which indiacte dicarboxylic acid to exhibit low toxicity.