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EC number: 251-833-3 | CAS number: 34122-40-2
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Justification for type of information:
- This endpoint record is part of a Weight of Evidence approach comprising an in vivo study (this record) and two QSAR predictions. All data sources agree in the estimated skin sensitization potential (i.e., non-sensitizing according to EC 1272/2008 as amended) as further explained in the provided endpoint summary.
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
Reference
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- This endpoint record is part of a Weight of Evidence approach comprising an in vivo study and two QSAR predictions (one of which is this record). All data sources agree in the estimated skin sensitization potential (i.e., non-sensitizing according to EC 1272/2008 as amended) as further explained in the provided endpoint summary.
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
- Guideline:
- other: QSAR prediction
- Principles of method if other than guideline:
- Times v.2.28.1.6
Toolbox prediction report is attached in IUCLID - GLP compliance:
- no
- Specific details on test material used for the study:
- Smiles: O=[N+]1C(C2CCC(N1[O-])(CC2)C)(C)C
- Parameter:
- other: QSAR skin sensitization model
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- study cannot be used for classification
- Remarks:
- part of a Weight of Evidence approach as further explained in the provided endpoint summary
- Conclusions:
- The test substance is predicted to be a non-sensitiser.
- Executive summary:
The Times model for skin sensitisation was used. The test substance is predicted to be a non-sensitiser. Additional supporting documentation is provided in the prediction report attached in IUCLID.
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
Reference
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- This endpoint record is part of a Weight of Evidence approach comprising an in vivo study and two QSAR predictions (one of which is this record). All data sources agree in the estimated skin sensitization potential (i.e., non-sensitizing according to EC 1272/2008 as amended) as further explained in the provided endpoint summary.
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
- Guideline:
- other: QSAR prediction
- Principles of method if other than guideline:
- BIOVIA Discovery Studio v4.5
Prediction report is attached in IUCLID - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: O=[N+]1C(C2CCC(N1[O-])(CC2)C)(C)C
- Parameter:
- other: QSAR skin sensitisation
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- study cannot be used for classification
- Remarks:
- part of a Weight of Evidence approach as further explained in the provided endpoint summary
- Conclusions:
- The test substance is predicted to be a non-sensitiser.
- Executive summary:
The BIOVIA model for skin sensitisation was used. The test substance is predicted to be a non-sensitiser. Additional supporting documentation is provided in the prediction report attached in IUCLID.
- Reason / purpose for cross-reference:
- reference to same study
- Remarks:
- skin irritation results
Reference
- Endpoint:
- skin irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Justification for type of information:
- This endpoint record is part of a Weight of Evidence approach comprising an in vivo study (this record) and three QSAR predictions. All data sources agree in the estimated skin irritation potential (i.e., non-irritating according to EC 1272/2008 as amended) as further explained in the provided endpoint summary.
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
- Reason / purpose for cross-reference:
- reference to other study
- Remarks:
- part of a Weight of Evidence approach
- Reason / purpose for cross-reference:
- reference to same study
- Remarks:
- skin sensitization results
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
- GLP compliance:
- no
- Specific details on test material used for the study:
- Haskell No. 9864
- Species:
- guinea pig
- Strain:
- not specified
- Details on test animals or test system and environmental conditions:
- Albino males
- Type of coverage:
- not specified
- Preparation of test site:
- shaved
- Vehicle:
- other: propylene glycol
- Controls:
- no
- Amount / concentration applied:
- 1 drop (apprx. 0.05 mL) each of a 50% and a 5% suspension (wt/vol) of the test material in propylene glycol were applied.
- Duration of treatment / exposure:
- Not specified
- Observation period:
- 48 hrs
- Number of animals:
- 10
- Details on study design:
- 1 drop of each suspension (50% or 5%) was applied and lightly rubbed in on the shaved intact shoulder skin.
- Irritation parameter:
- erythema score
- Basis:
- mean
- Remarks:
- 10 animals
- Time point:
- 24/48 h
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- mild irritation in three animals as a 50% suspension
- Irritation parameter:
- erythema score
- Basis:
- mean
- Remarks:
- 10 animals
- Time point:
- 24/48/72 h
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- results only reported for 14 & 48 hours
- Irritation parameter:
- edema score
- Basis:
- mean
- Remarks:
- 10 animals
- Time point:
- 24/48 h
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- mild irritation in three animals as a 50% suspension
- Irritation parameter:
- edema score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- only 24 & 48 hours reported
- Interpretation of results:
- study cannot be used for classification
- Conclusions:
- This study has limitations: duration of the exposure and coverage/dressing information were not provided, and the test substance was only tested up to 50%, which did not induce irritation.
This study has limitations: duration of the exposure and coverage/dressing information were not provided and the test substance was only tested up to 50%, which did not induce irritation.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 975
- Report date:
- 1975
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 406 (Skin Sensitisation)
- GLP compliance:
- no
- Type of study:
- intracutaneous test
- Justification for non-LLNA method:
- The guinea pig skin sensitization test results were existing data and were not commissioned for the purposes of REACH.
Test material
- Reference substance name:
- 1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide
- EC Number:
- 251-833-3
- EC Name:
- 1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene 2,3-dioxide
- Cas Number:
- 34122-40-2
- Molecular formula:
- C10H18N2O2
- IUPAC Name:
- 1,4,4-trimethyl-2,3-diazabicyclo[3.2.2]non-2-ene-2,3-diium-2,3-bis(olate)
- Test material form:
- solid: crystalline
Constituent 1
- Specific details on test material used for the study:
- Haskell No. 9864
In vivo test system
Test animals
- Species:
- guinea pig
- Strain:
- not specified
- Sex:
- male
- Details on test animals and environmental conditions:
- Albino males
Study design: in vivo (non-LLNA)
Induction
- Route:
- intradermal
- Vehicle:
- other: saline
- Concentration / amount:
- 0.1 mL of a 1% solution (wt/vol) of test material in 0.9% saline
- Day(s)/duration:
- 3 wks
- Adequacy of induction:
- not specified
Challenge
- Route:
- intradermal
- Vehicle:
- propylene glycol
- Concentration / amount:
- 0.05 mL each of a 50% and a 5% suspension (wt/vol) of test material in propylene glycol
- Day(s)/duration:
- 48 hours
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 9
- Details on study design:
- To test for the sensitization potential, a series of four sacral intradermal injections was given, one each week over a three-week period, which consisted of 0.1 ml of a 1% solution (wt/vol) of test material in 0.9% saline. Following a two-week rest period, the test animals were challenged for sensitization by applying, and lightly rubbing in 1 drop (approx. 0.05 mL) each of a 50% and a 5% suspension (wt/vol) of test material in propylene glycol on the shaved intact shoulder skin. A group of 10 previously unexposed guinea pigs received similar applications at the time of challenge to provide a direct comparison of the challenge reactions on skin of similar age.
- Challenge controls:
- A group of 10 previously unexposed guinea pigs received similar applications at the time of challenge to provide a direct comparison of the challenge reactions on skin of similar age.
Results and discussion
In vivo (non-LLNA)
Resultsopen allclose all
- Reading:
- 2nd reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- 50% suspension (wt/vol)
- No. with + reactions:
- 3
- Total no. in group:
- 6
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- 50% suspension (wt/vol)
- No. with + reactions:
- 0
- Total no. in group:
- 9
- Reading:
- 2nd reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- 5% suspension (wt/vol)
- No. with + reactions:
- 0
- Total no. in group:
- 9
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- 5% suspension (wt/vol)
- No. with + reactions:
- 0
- Total no. in group:
- 9
- Reading:
- 2nd reading
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- 5% suspension (wt/vol)
- No. with + reactions:
- 0
- Total no. in group:
- 0
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- 50% suspension (wt/vol)
- No. with + reactions:
- 0
- Total no. in group:
- 0
- Reading:
- 2nd reading
- Hours after challenge:
- 24
- Group:
- positive control
- Dose level:
- 5% suspension (wt/vol)
- No. with + reactions:
- 0
- Total no. in group:
- 0
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- positive control
- Dose level:
- 50% suspension (wt/vol)
- No. with + reactions:
- 0
- Total no. in group:
- 0
Applicant's summary and conclusion
- Interpretation of results:
- study cannot be used for classification
- Remarks:
- part of a Weight of Evidence approach as further explained in the provided endpoint summary
- Conclusions:
- The test material produced mild irritation in three test guinea pigs and one control guinea pig when applied at challenge to the shaved intact skin of male albino guinea pigs as a 50% suspension in propylene glycol. No irritation was produced by a 5% suspension. No sensitization was observed at challenge; however, the material is a mild skin irritant. However, this study has limitations: induction did not have 3 pairs of intradermal injections and did not have topical application. Also, it is unclear whether the highest induction dose was the highest to cause mild to moderate skin irritation. Coverage information was not provided, and skin reaction observed during the induction period was not reported.
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