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Diss Factsheets
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EC number: 208-797-9 | CAS number: 542-05-2
- 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
Based upon the data presented in the skin irritation and eye irritation end points and using the weight of evidence approach, it is concluded that the chemical 3-oxo glutaric acid is considered to be slightly irritating to the skin and eye.
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:
- OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
- GLP compliance:
- no
- Species:
- rabbit
- Type of coverage:
- semiocclusive
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Irritation parameter:
- primary dermal irritation index (PDII)
- Basis:
- mean
- Score:
- 1.63
- Reversibility:
- no data
- Remarks on result:
- other: slightly irritating based upon the irritation index
- Interpretation of results:
- slightly irritating
- Remarks:
- Migrated information Primary Dermal Irritation Index = 1.63 Criteria used for interpretation of results: EU
- Conclusions:
- The primary dermal irritation index on rabbit for 3-oxoglutaric acid is estimated to be 1.63. Based on this value it can be estimated that 3-oxoglutaric acid is slightly irritating to skin as per CLP regulation criteria.
- Executive summary:
The primary dermal irritation index on rabbit for 3-oxoglutaric acid is estimated to be 1.63. Based on this value it can be estimated that 3-oxoglutaric acid is slightly irritating to skin as per CLP regulation criteria.
Reference
The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
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 ( not "e") ) ) and "f" ) and ("g" and ( not "h") ) ) and ("i" and ( not "j") ) ) and ("k" and "l" ) )
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 Acylation OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Acid anhydrides OR Acylation >> Direct acylation involving a leaving group >> N-acylamides OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated alkyl or aryl esters OR Acylation >> Ring opening acylation OR Acylation >> Ring opening acylation >> Active cyclic agents OR 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 OR Radical OR Radical >> Free radical formation OR Radical >> Free radical formation >> Organic peroxy compounds OR Schiff base formation OR Schiff base formation >> Nucleophilic cycloaddition to diketones OR Schiff base formation >> Nucleophilic cycloaddition to diketones >> Diketones OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Activated alkyl esters OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> alpha-activated haloalkanes by Protein binding by OASIS v1.1
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Halogens OR Metalloids by Groups of elements
Domain logical expression index: "f"
Similarity boundary:Target: C(=O)(O)CC(=O)CC(=O)O
Threshold=80%,
Dice(Atom pairs)
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Not categorized by OECD HPV Chemical Categories
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Monoethylene glycol ethers OR Propylene glycol ethers by OECD HPV Chemical Categories
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Not classified by Oncologic Primary Classification
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Aromatic Amine Type Compounds by Oncologic Primary Classification
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is >= -5.92
Domain logical expression index: "l"
Parametric boundary:The target chemical should have a value of log Kow which is <= -0.105
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (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:
- The prediction is done by using QSAR Toolbox Version 3.1
- GLP compliance:
- no
- Species:
- rabbit
- Vehicle:
- not specified
- Controls:
- not specified
- Duration of treatment / exposure:
- 1day
- Number of animals or in vitro replicates:
- 3,5
- Irritation parameter:
- other: The modified maximum average score
- Basis:
- mean
- Score:
- 30.6
- Reversibility:
- not specified
- Remarks on result:
- other: slightly irritating based on the modified maximum average score
- Interpretation of results:
- slightly irritating
- Remarks:
- Migrated information MMAS = 30.6 Criteria used for interpretation of results: EU
- Conclusions:
- The modified maximum average score (MMAS) for 3-oxoglutaric acid is estimated to be 30.6. Based on this value it can be conlcuded that 3-oxoglutaric acid is slightly irritating to eyes as per the criteria of new CLP regulation.
- Executive summary:
The modified maximum average score (MMAS) for 3-oxoglutaric acid is estimated to be 30.6. Based on this value it can be conlcuded that 3-oxoglutaric acid is slightly irritating to eyes as per the criteria of new CLP regulation.
Reference
The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" and ( not ("e" and "f" ) ) ) )
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 Low (Class I) by Toxic hazard classification by Cramer (original)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= -5
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 7.96
Domain logical expression index: "e"
Parametric boundary:The target chemical should have a value of log Kow which is >= 4
Domain logical expression index: "f"
Parametric boundary:The target chemical should have a value of log Kow which is <= 5
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Additional information
Based upon the data presented in the skin irritation and eye irritation end points and using the weight of evidence approach, it is concluded that the chemical 3-oxo glutaric acid is considered to be slightly irritating to the skin and eye.
Justification for selection of skin irritation / corrosion endpoint:
Model considered reliable by OECD
Justification for selection of eye irritation endpoint:
Model considered reliable by OECD
Effects on skin irritation/corrosion: slightly irritating
Effects on eye irritation: slightly irritating
Justification for classification or non-classification
Based upon the data presented in the skin irritation and eye irritation end points and using the weight of evidence approach, it is concluded that the chemical 3-oxo glutaric acid is considered to be slightly irritating to the skin and eye for classification purposes.
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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