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Diss Factsheets
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EC number: 201-788-0 | CAS number: 87-99-0
- 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 irritation / corrosion
Administrative data
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Principles of method if other than guideline:
- OECD Toolbox v3.1
Toolbox prediction report is attached in IUCLID - GLP compliance:
- no
Test material
- Reference substance name:
- Xylitol
- EC Number:
- 201-788-0
- EC Name:
- Xylitol
- Cas Number:
- 87-99-0
- Molecular formula:
- C5H12O5
- IUPAC Name:
- (2R,3r,4S)-pentane-1,2,3,4,5-pentol
- Details on test material:
- SMILES:C(O)(C(O)C(O)CO)CO
Constituent 1
Test animals
- Species:
- other: rabbit; mouse; human
Test system
- Type of coverage:
- other: no data; open; occlusive
Results and discussion
In vivo
Results
- Irritation parameter:
- primary dermal irritation index (PDII)
- Score:
- < 2
- Remarks on result:
- other: slightly irritating
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression: Result: Out of Domain
(((((("a" and("b" and(not "c")) ) and "d") and "e") and("f" and(not "g")) ) and("h" and(not "i")) ) and("j" and "k") )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Neutral Organics by Aquatic toxicity classification by ECOSAR ONLY
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Inclusion rules not met by Skin irritation/corrosion Inclusion rules by BfR
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Acid anhydrides OR Activated N-heterocycles OR Aliphatic alpha-halogen-esters OR Aliphatic iso(thio) cyanates OR Allyl halides, sulfonates OR Alpha-halogenated aldehydes/ketones or thioaldehydes/thio-ketones OR Aromatic amines OR Benzanthrone derivatives OR Disulfides OR Esters of organic sulfonic or sulfuric esters OR Ethylenglycolethers OR Halogenated alkanes OR Halogenated phenol ethers OR Hydrazines, hydrazonium salts OR Ketones OR Organic silicon halides OR Primary and secondary aliphatic amines OR Quaternary organic ammonium compounds by Skin irritation/corrosion Inclusion rules by BfR
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Discrete chemical by Substance Type
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1 ONLY
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR Acylation >> Direct Acylation Involving a Leaving group >> Acyl halides (including benzyl and carbamoyl deriv.) OR Acylation >> Isocyanates and Related Chemicals OR Acylation >> Isocyanates and Related Chemicals >> Ketenes OR Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - pyrazines OR Michael addition >> Polarised Alkenes >> Polarised alkene - pyridines OR Michael addition >> Polarised Alkynes OR Michael addition >> Polarised Alkynes >> Polarised alkyne - pyridine OR Michael addition >> Polarised Alkynes >> Polarised alkyne - pyrimidine OR Michael addition >> Polarised Alkynes >> Polarised alkyne - sulfone OR Michael addition >> Polarized Azo Compounds OR Michael addition >> Polarized Azo Compounds >> Azocarbonamides OR SN2 OR SN2 >> Episulfonium Ion Formation OR SN2 >> Episulfonium Ion Formation >> Mustards OR SN2 >> SN2 reaction at a sp2 carbon atom OR SN2 >> SN2 reaction at a sp2 carbon atom >> Polarised alkenes with a halogen leaving group OR SN2 >> SN2 reaction at a sulphur atom OR SN2 >> SN2 reaction at a sulphur atom >> Sulfenyl halides OR SN2 >> SN2 reaction at a sulphur atom >> Sulfoxides of disulfides OR SN2 >> SN2 reaction at a sulphur atom >> Thiosulfonates OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl diazo OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halo ethers OR SN2 >> SN2 reaction at sp3 carbon atom >> alpha-Halobenzyls (and related cyano, sulfate and sulphonate subs. chem.) OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated halo-benzenes OR SNAr >> Nucleophilic aromatic substitution >> Activated halo-pyridines by Protein binding by OECD
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as No alert found by Protein binding alerts for skin sensitization by OASIS v1.1
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> alpha-haloalkanes by Protein binding alerts for skin sensitization by OASIS v1.1
Domain logical expression index: "j"
Parametric boundary: The target chemical should have a value of log Kow which is >= -1.77
Domain logical expression index: "k"
Parametric boundary: The target chemical should have a value of log Kow which is <= -1.22
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Primary (Dermal) Irritation Index (PII) < 2; Slightly irritating
- Executive summary:
A Primary Irritation Index (PII) value of less than 2 was derived by QSAR using the OECD Toolbox. The model was based on in vivo skin irritation data using the five nearest neighbours. The test substance was determined to be slightly irritating to the skin. Supporting documentation is provided in the attached prediction report.
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.
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