Registration Dossier

Administrative data

Endpoint:
acute toxicity: inhalation
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: 5.7 mg/L air; Estimation for LC0 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 403 (Acute Inhalation Toxicity)
GLP compliance:
no
Test type:
standard acute method

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:
rat
Strain:
Wistar
Sex:
not specified

Administration / exposure

Route of administration:
inhalation: dust
Type of inhalation exposure:
nose/head only
Vehicle:
not specified
Duration of exposure:
7 h

Results and discussion

Effect levels
Sex:
not specified
Dose descriptor:
LC0
Effect level:
5.7 mg/L air
Based on:
test mat.
Exp. duration:
7 h
Remarks on result:
other: Sex details not given

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: LC0
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" )  and ("f" and ( not "g") )  )  and ("h" and "i" )  )

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 Michael addition OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-carbonyl compounds with polarized double bonds by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Low (Class I) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Low (Class I) by Toxic hazard classification by Cramer (with extensions)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as H-acceptor-path3-H-acceptor by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as No alert found by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "h"

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

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.571

Applicant's summary and conclusion

Interpretation of results:
practically nontoxic
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The LC0 value of 3-oxoglutaric acid for 7h in Rat (Wistar ) was estimated to be 5.69mg/L air . This value indicates that 3-oxoglutaric acid does not exhibits acute toxicity by the inhalative route.
Executive summary:

The LC0 value of 3-oxoglutaric acid for 7h in Rat (Wistar ) was estimated to be 5.69mg/L air . This value indicates that 3-oxoglutaric acid does not exhibits acute toxicity by the inhalative route. The LC0 value of 5.69 mg/L indicates that there is no adverse effect on any of the test population and in the absence of any available experimental data, this prediction is considered to be a useful pointer that the chemical 3 -oxoglutaric acid is not expected to exhibit acute toxicity by the inhalation route