Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- 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 data is predicted by QSAR Toolbox version 2.3
- GLP compliance:
- no
- Type of study:
- guinea pig maximisation test
- Species:
- guinea pig
- Strain:
- not specified
- Sex:
- not specified
- Route:
- other: unspecified
- Vehicle:
- no data
- Concentration / amount:
- no data
- Route:
- other: unspecified
- Vehicle:
- no data
- Concentration / amount:
- no data
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- Not Sensitizing
- Remarks on result:
- other: Reading: 1st reading. Group: test group. Clinical observations: Not Sensitizing.
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- In the Guinea pig maximization test, as predicted by the QSAR model, the chemical 5-nitrovanillin was found to be non-sensitizing to the skin of guinea pig.
- Executive summary:
In the Guinea pig maximization test, as predicted by the QSAR model, the chemical 5-nitrovanillin was found to be non-sensitizing to the skin of guinea pig.
Reference
The prediction was based on dataset comprised from the following descriptors: "Skin sensitisation"
Estimation method: Taking highest mode 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 ("h" and ( not "i") ) ) and "j" ) and "k" ) and "l" ) and ("m" and "n" and ( not ("o" and "p" ) ) ) )
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=60%,
Dice(Atom pairs)
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Group 1 - Alkali Earth Li,Na,K,Rb,Cs,Fr OR Group 16 - Sulfur S by Chemical elements
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as (N/A) by OECD HPV Chemical Categories
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Aryl substituted peroxy esters OR m,p - Cresols OR Primary amines by OECD HPV Chemical Categories
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments
Domain logical expression index: "h"
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: "i"
Referential boundary: The target chemical should be classified as Alkyl 2-alkenoates (MA) OR Moderately reactive (GSH) OR Substituted 1-Alken-3-ones (MA) by Protein Binding Potency
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original)
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extension)
Domain logical expression index: "l"
Similarity boundary:Target: c1(OC)c(O)c(N(=O)=O)cc(C=O)c1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "m"
Parametric boundary:The target chemical should have a value of log Kow which is >= 1.03
Domain logical expression index: "n"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1.55
Domain logical expression index: "o"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0
Domain logical expression index: "p"
Parametric boundary:The target chemical should have a value of log Kow which is <= 1
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Based on studies were reviewed for skin sensitization with Klimish rating 2 & 4 for the target substance for CAS: 6635-20-7 considering weight of evidence approach.
The results for target as well as analogues are summarized as follows:
Sr.No
Type of study
Species
Interpretation of results
Sources
1
Guinea pig maximisation test
guinea pig
Not sensitizing
Predicted data for target CAS: 6635-20-7
2
Guinea pig maximisation test
guinea pig
Not sensitizing
Predicted data for target CAS: 6635-20-7
3
Modified Buehler test and guinea pig Patch test
guinea pig
Not Sensitising
publication data for RA CAS: 121-33-5
Justification for selection of skin sensitisation endpoint:
In the Guinea pig maximization test, as predicted by the QSAR model, the chemical 5-nitrovanillin was found to be non-sensitizing to the skin of guinea pig.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
In the Guinea pig maximization test, as predicted by the QSAR model, the chemical 5-nitrovanillin was found to be non-sensitizing to the skin of guinea pig.
Also the supporting study shows negative results for skin sensitization . Thus, 5 -nitrovanillin is not classifed as a skin sensitizing chemical. This classification is also in agreement with the majority classification in the CLP inventory
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.