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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 209-935-0 | CAS number: 598-50-5
- 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
- Remarks:
- in vivo
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- other: read across tool
- Title:
- 17.04.2015 10:37 [R]: Negative; Estimation for Skin Sensitisation for CAS 598-50-5
- Author:
- OECD Toolbox 3.3.0.152, Database version: 3.8.3/3.1.2
- Year:
- 2 015
- Bibliographic source:
- see TPRF
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Guideline:
- other: QSAR Toolbox 3.3.0.152
- Principles of method if other than guideline:
- read across based on grouping of substances predicted by QSAR toolbox 3.3.0.152
- GLP compliance:
- not specified
- Type of study:
- other: LLNA, GPMT
Test material
- Reference substance name:
- Methylurea
- EC Number:
- 209-935-0
- EC Name:
- Methylurea
- Cas Number:
- 598-50-5
- Molecular formula:
- C2H6N2O
- IUPAC Name:
- methylurea
- Details on test material:
- SMILES:CNC(N)=O
Constituent 1
In vivo test system
Test animals
- Species:
- other: mouse, guinea pig
Results and discussion
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a"
and ("b"
and (
not "c")
)
)
and ("d"
and "e" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Substituted Ureas by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Amino,
aliphatic attach [-N<] AND Miscellaneous sulfide (=S) or oxide (=O) AND
Olefinic carbon [=CH- or =C<] AND Urea [-OC(=O)N-] by Organic functional
groups (US EPA)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as 1,2-Oxaza compounds [N-C-O-] OR
2-Aminoalkyl acetamide [NCOCN<] OR Acid, aliphatic attach [-COOH] OR
Acid, aromatic attach [-COOH] OR Alcohol, olefinic attach [-OH] OR
Alcohol-acid Carbon [HO-C-COOH] OR Aliphatic Carbon [C] OR Aliphatic
Carbon, two phenyl attach [-C-] OR Aliphatic Carbon, two phenyl attach
[-CH2-] OR Aliphatic Nitrogen, one aromatic attach [-N] OR Aliphatic
Nitrogen, two aromatic attach [-N-] OR Aliphatic Oxygen, two aromatic
attach [-O-] OR Alpha-oxoamide [C(C(=O))C(=O)N] OR Amide, aliphatic
attach [-C(=O)N] OR Amide, aromatic attach [-C(=O)N] OR Amino alcohol
[-OC(N)COH] OR Amino Triazine/Pyrazine/Pyrimidine OR Amino-carbonyl
compound [NCC(=O)-C] OR Aromatic Carbon [C] OR Aromatic Nitrogen OR
Aromatic-N-C-Aromatic OR Azo [-N=N-] OR Carbonyl, aliphatic attach
[-C(=O)-] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one
aromatic attach [-C(=O)-] OR Chlorine, aromatic attach [-Cl] OR
Chlorine, olefinic attach [-Cl] OR Ester, aliphatic attach [-C(=O)O] OR
Fluorine, aliphatic attach [-F] OR Hydroxy, aliphatic attach [-OH] OR
Hydroxy, aromatic attach [-OH] OR Multi alcohol OR N-(beta-oxyalkyl)
hydroxylamine derivative [-OCC(-N-)-O] OR N-aryl arene
amide[C{ar}NC(=O)C{ar}] OR Nitro, aromatic attach [-NO2] OR Nitrogen,
hydrogen attach {v+5} OR Nitrogen, two or tree olefinic attach [>N-] OR
Ortho-hydroxy to misc. -CO- OR Oxygen, one aromatic attach [-O-] OR
Oxygen, two olefinic attach [-O-] OR Pyridine, non fused rings OR
Suflur {v+4} or {v+6} OR Sulfamide, aromatic attach [-SO2-N] OR
Sulfonate, aromatic attach [-SO2-O] OR Sulfonyl amide, aromatic attach
[-S(=O)N-] OR Sulfur, nitrogen attach [-S-] OR Sym-Triazine ring OR
Urea, N and N'-diaryl subsrituted OR Ureide [NC(=O)NC(=O)] by Organic
functional groups (US EPA)
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.82
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.182
The substance is considered a non sensitizer based on read across to the following substances:
2-imidazolidinone, CAS 120-93-4
n,n-dimethylurea, CAS 96-31-1
6-methyl-2-oxoperhydropyrimidin-4-ylurea1, CAS 129-42-6
1,3-dimethyl-2-imidazolidinone, CAS 80-73-9
Applicant's summary and conclusion
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information
- Executive summary:
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.