3-oxoglutaric acid

Endpoint summary

Description of key information

Based on the available information, it can be concluded that the chemical 3-oxoglutaric acid shall not exhibit acute toxicity by the oral, inhalation and dermal route (within the concentration values mentioned in the respective end points) 

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

The target chemical 3-oxoglutaric acid and the read across chemical belong to the same category; that of “dicarboxylic acid”. Both the chemicals share physico-chemical properties within an acceptable range as well as environmental fate properties and aquatic toxicity properties thereby qualifying for suitable read-across. In general, the most striking pattern across the two chemicals is their low toxicity profile.

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

Data is from RTECS database

GLP compliance:

not specified

Species:

rat

Strain:

not specified

Sex:

not specified

Route of administration:

oral: unspecified

Vehicle:

not specified

Doses:

2750 mg/kg

Control animals:

not specified

Sex:

not specified

Dose descriptor:

LD50

Effect level:

2 750 mg/kg bw

Based on:

test mat.

Remarks on result:

other: Behavioral - tremor Gastrointestinal - gastritis Gastrointestinal - hypermotility, diarrhea

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

Acute toxicity via oral route in rat for glutaric acid is LD50: 2750 mg/kg

Executive summary:

Acute toxicity via oral route in rat for glutaric acid is LD50: 2750 mg/kg

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

2 750 mg/kg bw

Quality of whole database:

Weight of evidence approach has been used (using predicted value of target as well as available information from read-across substance). The LD50 values in all the case are well above the values that would indicate acute toxicity by the oral route.

Acute toxicity: via inhalation route

Link to relevant study records

Reference

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

Qualifier:

according to guideline

Guideline:

OECD Guideline 403 (Acute Inhalation Toxicity)

GLP compliance:

no

Test type:

standard acute method

Species:

rat

Strain:

Wistar

Sex:

not specified

Route of administration:

inhalation: dust

Type of inhalation exposure:

nose/head only

Vehicle:

not specified

Duration of exposure:

7 h

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

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

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

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Quality of whole database:

The predicted LD0 value was obtained as 5.699 mg/L air. This value 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.

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

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:

OECD Guideline 402 (Acute Dermal Toxicity)

GLP compliance:

no

Test type:

standard acute method

Species:

rabbit

Strain:

New Zealand White

Sex:

male

Type of coverage:

occlusive

Vehicle:

not specified

Duration of exposure:

unspecified

No. of animals per sex per dose:

no data

Sex:

male

Dose descriptor:

LD50

Effect level:

2 714.286 mg/kg bw

Based on:

test mat.

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Carbonyl, aliphatic 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: "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 SN2 OR SN2 >> Interchange reaction with sulphur containing compounds OR SN2 >> Interchange reaction with sulphur containing compounds >> Thiols and disulfide compounds by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No alert found by Carcinogenicity (genotox and nongenotox) alerts by ISS

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Structural alert for nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids (Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= -2.76

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= -0.647

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The acute oral median lethal dose (LD50) of 3-oxoglutaric acid in rabbit via dermal route was estimated to be 2714.2 mg/kg bw and based on this value it can be estimated that the 3-oxoglutaric acid is not toxic substance via dermal route below the above mentioned dose.

Executive summary:

The acute oral median lethal dose (LD50) of 3-oxoglutaric acid in rabbit via dermal route was estimated to be 2714.2 mg/kg bw and based on this value it can be estimated that the 3-oxoglutaric acid is not toxic substance via dermal route below the above mentioned dose.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

2 714.28 mg/kg bw

Quality of whole database:

In the absence of any experimental data, the predicted data as well as the available data is considered to be a useful pointer that the chemical 3 -oxoglutaric acid is not expected to exhibit acute toxicity by the dermal route.

Additional information

Based on the available information, it can be concluded that the chemical 3-oxoglutaric acid shall not exhibit acute toxicity by the oral, inhalation and dermal route (within the concentration values mentioned in the respective end points)

Justification for selection of acute toxicity – oral endpoint
Weight of evidence approach has been used rather than a single study

Justification for selection of acute toxicity – inhalation endpoint
Model considered relaible by OECD

Justification for selection of acute toxicity – dermal endpoint
Model considered relaible by OECD

Justification for classification or non-classification

Based on the available information, it can be concluded that the chemical 3-oxoglutaric acid shall not exhibit acute toxicity by the oral, inhalation and dermal route (within the concentration values mentioned in the respective end points). Thus, for the classification, the chemical is not considered to be classifed for acute oral, inhalation and dermal toxicity.