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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: 947-427-7 | CAS number: -
- 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, other
- Remarks:
- in silico prediction
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Toxtree (Estimation of Toxic Hazard - A Decision Tree Approach) version 2.6.13
2. MODEL (incl. version number)
Toxtree v2.6.13
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES = CCCCCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: skin sensitisation
- Unambiguous algorithm: : identification of structural alerts for aromatic nucleophilic substitution (SNAr), Schiff base formation (SB), Michael-type addition (MA), aliphatic nucleophilic substitution (SN2) and acylation (Ac) (potential mechanisms of action regarded as important for determining a chemical’s skin sensitising potential)
The SMARTS rules aim to identify potential electrophilic fragments and therefore identify a potential hazard associated with a compound, it is up to the user to apply issues relating to bioavailability etc.
The algorithm then attempts to match each of the input SMILES strings against each of the SMARTS patterns. If a chemical matches one or more of the SMARTS patterns within each mechanism then it is assigned to that mechanism. If a chemical matches multiple SMARTS patterns from more than a single mechanism then it is assigned to each of the mechanisms which it matches. A chemical is only assigned to the category ‘non-sensitiser’ if it fails to match any of the SMARTS patterns in any of the mechanistic categories.
Reference
Enoch SJ, Madden JC, Cronin MT, Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach, SAR QSAR Environ Res. 2008;19(5-6):555-78
5. APPLICABILITY DOMAIN
The training set contained a recently published 210 chemical LLNA assay database to derive a set of SMARTS patterns capable of identifying potential mechanisms of action. Having defined the initial SMARTS patterns, a second recently published series of 44 LLNA assay results with mechanisms of action assigned to them was used to validate the rules.
6. ADEQUACY OF THE RESULT
The Toxtree estimation revealed that there are no structural fragments associated with skin sensitisation reactivity domains, thus, based on structure the substance is
considered not to be a sensitizer.
Data source
Reference
- Reference Type:
- other: QSAR: Expert statement
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR prediction with Toxtree decision tree approach.
- GLP compliance:
- no
Test material
- Reference substance name:
- C16-18 alkyl-D-glucoside
- IUPAC Name:
- C16-18 alkyl-D-glucoside
- Reference substance name:
- C16-18-alkyl diglucoside
- IUPAC Name:
- C16-18-alkyl diglucoside
- Reference substance name:
- C16-18-alkyl triglucoside
- IUPAC Name:
- C16-18-alkyl triglucoside
- Test material form:
- solid: particulate/powder
Constituent 1
Constituent 2
Constituent 3
Results and discussion
Any other information on results incl. tables
Results
No skin sensitisation reactivity domains alerts identified. = YES
Alert for SN2 identified. = NO
Alert for Michael Acceptor identified. = NO
Alert for Acyl Transfer agent identified. = NO
Alert for SNAr Identified. = NO
Alert for Schiff base formation identified. = NO
No skin sensitisation reactivity domains alerts identified.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on a reliable prediction performed with the Toxtree software, D-Glucose reaction products with alcohols C16 -C18 is not considered to be a skin sensitizer.
- Executive summary:
The sensitising potential of D-Glucose reaction products with alcohols C16 -C18 was estimated using the Toxtree decision tree
approach. This QSAR software predicts the sensitising potential via skin sensitisation reactivity domains.
No structural alert was found for D-Glucose reaction products with alcohols C16 -C18. The test item is therefore considered to be
a non-sensitizer.
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.