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EC number: 229-633-2 | CAS number: 6635-20-7
- 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
Endpoint summary
Administrative data
Description of key information
Based upon the results obtained for the irritant effect of 5-nitrovanillin; it is concluded that the chemical has the potential to cause skin and eye irritation. These results also support the majority classification on the CLP inventory and hence it can be conlcuded that the predictions are of reliable quality
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:
- other: Close patch test
- GLP compliance:
- no
- Species:
- guinea pig
- Strain:
- not specified
- Type of coverage:
- not specified
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Duration of treatment / exposure:
- unspecified
- Observation period:
- no data
- Irritation parameter:
- primary dermal irritation index (PDII)
- Basis:
- mean
- Score:
- 1.83
- Reversibility:
- no data
- Remarks on result:
- other: slightly Irritating
- Interpretation of results:
- slightly irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Based on the results obtained from the QSR model, the primary dermal irritation index (to Guinea pig) gave a score of 1.83 indicating that 5-nitrovannilin shall exhibit slight irritation potential to the skin of guinea pig
- Executive summary:
Based on the results obtained from the QSR model, the primary dermal irritation index (to Guinea pig) gave a score of 1.83 indicating that 5-nitrovannilin shall exhibit slight irritation potential to the skin of guinea pig
Reference
The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a" and "b" ) and ("c" and ( not "d") ) ) and ("e" and ( not "f") ) ) and ("g" and ( not "h") ) ) and ("i" and "j" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(OC)c(O)c(N(=O)=O)cc(C=O)c1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: c1(OC)c(O)c(N(=O)=O)cc(C=O)c1
Threshold=80%,
Dice(Atom pairs)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as (N/A) by OECD HPV Chemical Categories
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Gluconates OR High boiling EGE's OR Hydrotrope surfactants OR m,p - Cresols OR Menthols OR Monoethylene glycol ethers OR Oxo alcohols OR Primary amines OR Propylene glycol ethers OR Short chain alkyl methacrylates esters by OECD HPV Chemical Categories
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Aldehydes (Acute toxicity) AND Phenols (Acute toxicity) by US-EPA New Chemical Categories
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as (N/A) OR Acrylates/Methacrylates (Acute toxicity) OR Aliphatic Amines OR Alkoxysilanes OR Anhydrides, Carboxylic acid OR Anilines (Acute toxicity) OR Anionic Surfactants OR Epoxides OR Esters (Acute toxicity) OR Ethylene Glycol Ethers OR Neutral Organics OR Nonionic Surfactants by US-EPA New Chemical Categories
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Not possible to classify according to these rules by Protein Binding Potency
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as 2-Alken-1-als (MA) OR Cinnamaldehydes (MA) OR Highly reactive (GSH) by Protein Binding Potency
Domain logical expression index: "i"
Parametric boundary:The target chemical should have a value of log Kow which is >= 1.05
Domain logical expression index: "j"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.96
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:
- Principles of method if other than guideline:
- The data is predicted by QSAR toolbox version 2.3
- GLP compliance:
- no
- Species:
- rabbit
- Strain:
- other: Unspecified
- Vehicle:
- not specified
- Controls:
- not specified
- Duration of treatment / exposure:
- 1-3 days
- Number of animals or in vitro replicates:
- 3
- Irritation parameter:
- other: The modified maximum average score
- Basis:
- mean
- Score:
- 29.7
- Reversibility:
- not specified
- Remarks on result:
- other: Slightly Irritating
- Interpretation of results:
- Category II
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Based on the results obtained from the QSR model, the modified maximum average score (to rabbit) gave a score of 29.7 indicating that 5-nitrovannilin shall exhibit irritation potential to the eye of rabbit
- Executive summary:
Based on the results obtained from the QSR model, the modified maximum average score (to rabbit) gave a score of 29.7 indicating that 5-nitrovannilin shall exhibit irritation potential to the eye of rabbit
Reference
The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Taking 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 ( not "g") ) ) and ("h" and ( not "i") ) ) and ("j" and "k" ) )
Domain logical expression index: "a"
Similarity boundary:Target: c1(OC)c(O)c(N(=O)=O)cc(C=O)c1
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 by Protein Binding Potency
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Acrylates (MA) OR Alkyl 2-alkenoates (MA) OR Highly reactive (GSH) OR Methacrylates (MA) OR Moderately reactive (GSH) OR Slightly reactive (GSH) by Protein Binding Potency
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as MA: Direct acylation involving a leaving group OR MA: Interchange reaction with sulphur containing compounds OR Mechanistic Domain: Acylation OR Mechanistic Domain: SN2 OR N-acylamides OR Thiols and disulfide compounds by Protein binding by OASIS
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Inclusion rules not met by Eye irritation/corrosion Inclusion rules by BfR
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Aliphatic monoalcohols by Eye irritation/corrosion Inclusion rules by BfR
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as H-acceptor-path3-H-acceptor AND Nitro-aromatic AND Simple aldehyde by in vivo mutagenicity (Micronucleus) alerts by ISS
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as No alerts for in vivo mutagenicity by in vivo mutagenicity (Micronucleus) alerts by ISS
Domain logical expression index: "j"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0.212
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.61
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Additional information
Skin irritation
Based on studies were reviewed for skin irritation from reliable sources having Klimish rating 2 and 4 considering weight of evidence approach.
The summary of the results are presented below
Sr.No |
Irritation Parameter |
Species |
Interpretation of results |
Sources |
1 |
Overall irritation score |
Human |
Irritating |
Predicted data for Target Cas :6635-20-7 |
2 |
Primary irritation index (PII) |
Guinea pig |
Slight irritating |
Predicted data for Target Cas :6635-20-7 |
3 |
Overall irritation score |
Guinea pig |
Slightly irritating |
Experimental data for RA cas :121-33-5 |
Based on the results presented in above table, it is concluded that the substance 5-nitrovanillin was found to be irritating (Slightly) to the skin of human & Guinea pig. The acidic pH of 3.69 also supports the same. Thus based on these results it can be concluded that 5-nitrovanillin does classified as skin irritant -2 as per the CLP regulation.
Eye irritation
Based on studies were reviewed for eye irritation from reliable sources having Klimish rating 2 and 4 considering weight of evidence approach.
The summary of the results are presented below
Sr.No |
Irritation Parameter |
Species |
Interpretation of results |
Sources |
1 |
MMAS(modified maximum average score (MMAS)) |
Rabbit |
Slightly irritating |
Predicted data for Target Cas :6635-20-7 |
2 |
Overall irritation score |
Rabbit |
Slightly irritating |
Experimental data for RA cas :121-33-5 |
Based on the results presented in above table,it is concluded that the substance 5-nitrovanillin was found to be not irritating to the eyes of rabbit. Thus based on these results it can be concluded that 5-nitrovanillin is considered to be irritating(slightly) to eyes in category II as per the CLP regulation.
Justification for selection of skin irritation / corrosion endpoint:
Based on the results obtained from the QSR model, the primary dermal irritation index (to Guinea pig) gave a score of 1.83 indicating that 5-nitrovannilin shall exhibit slight irritation potential to the skin of guinea pig
Justification for selection of eye irritation endpoint:
Based on the results obtained from the QSR model, the modified maximum average score (to rabbit) gave a score of 29.7 indicating that 5-nitrovannilin shall exhibit irritation potential to the eye of rabbit
Effects on skin irritation/corrosion: slightly irritating
Effects on eye irritation: irritating
Justification for classification or non-classification
Based upon the results obtained for the irritant effect of 5-nitrovanillin; it is concluded that the chemical has the potential to cause skin and eye irritation. These results also support the majority classification on the CLP inventory and hence it can be conlcuded that the predictions are of reliable quality. Thus, 5 -nitrovanillin is classified as a chemical causing skin and eye irritation
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