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EC number: 204-493-5 | CAS number: 121-69-7
- 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 (LLNA)
- 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]: 24.5 %; Estimation for EC3 for CAS 121-69-7
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 013
- Bibliographic source:
- QSAR toolbox Version 3.1
Materials and methods
Test guideline
- 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
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- N,N-dimethylaniline
- EC Number:
- 204-493-5
- EC Name:
- N,N-dimethylaniline
- Cas Number:
- 121-69-7
- Molecular formula:
- C8H11N
- IUPAC Name:
- N,N-dimethylaniline
- Details on test material:
- - Name of test material: N,N-dimethylaniline
- Substance type: Organic
- Physical state: liquid
- SMILES:c1(N(C)C)ccccc1
Constituent 1
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- not specified
- Sex:
- not specified
Study design: in vivo (LLNA)
- Vehicle:
- not specified
- Concentration:
- not reported
- No. of animals per dose:
- not reported
Results and discussion
In vivo (LLNA)
Results
- Parameter:
- SI
- Remarks on result:
- other: EC3: 24.5 %
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: EC3
Estimation method: Takes average value from the 3 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: c1(N(C)C)ccccc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Not possible to classify according to these rules (GSH) by Protein binding potency
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Extremely reactive (GSH) OR Extremely reactive (GSH) >> 2-bromo dinitriles (SN2) OR Highly reactive (GSH) OR Highly reactive (GSH) >> 2-Alken-1-als (MA) OR Highly reactive (GSH) >> 3-Alken-2-ones (MA) OR Highly reactive (GSH) >> 4-Vinylpyridine (MA) OR Highly reactive (GSH) >> Alkyl 2-alkyonates (MA) OR Highly reactive (GSH) >> alpha-bromo toluenes (SN2) OR Highly reactive (GSH) >> Cinnamaldehydes (MA) OR Moderately reactive (GSH) OR Moderately reactive (GSH) >> 2-Vinylpyridine (MA) OR Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) OR Moderately reactive (GSH) >> Substituted 2-Alken-1-als (MA) by Protein binding potency
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as No alert found by rtER Expert System ver.1 - USEPA
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Alkoxyphenols by rtER Expert System ver.1 - USEPA
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.11
Domain logical expression index: "i"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.21
Applicant's summary and conclusion
- Interpretation of results:
- other: Weak sensitising
- Remarks:
- Criteria used for interpretation of results: EU
- Conclusions:
- The substance N,N-dimethylaniline is estimated to have an EC3 value of 24.3 % in the LLNA test.
- Executive summary:
The substance N,N-dimethylaniline is estimated to have an EC3 value of 24.3 % in the LLNA test. This value indicates that the substance will act as a weak sensitiser in mice.
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