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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 831-423-6 | CAS number: 2125692-22-8
- 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: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1/5/18 - 18/6/18
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes
- Type of study:
- direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- non-animal test method preferred
Test material
- Reference substance name:
- Reaction mass of L-valine and ethanesulphonic acid and octadecan-1-ol and docosan-1-ol and eicosan-1-ol
- Cas Number:
- 2125692-22-8
- Molecular formula:
- C25-31H54-66NO5S
- IUPAC Name:
- Reaction mass of L-valine and ethanesulphonic acid and octadecan-1-ol and docosan-1-ol and eicosan-1-ol
- Test material form:
- solid
Constituent 1
In chemico test system
- Details on the study design:
- DPRA is an in chemico method which quantifies the remaining concentration of cysteine or lysine-containing peptide following 24 ± 2 hours of incubation with the test chemical at a temperature of 25 ± 2.5ºC. Relative peptide concentration was measured by high performance liquid chromatography (HPLC) with gradient elution and ultraviolet (UV) detection at 220 nm. Cysteine and lysine peptide percent depletion values were calculated and used in a prediction model which allowed the assigning of the test chemical to one of four reactivity classes used to support the discrimination between sensitizers and non-sensitisers. One or more calibration curves were generated from analyses of standard solutions of cysteine and lysine peptides analyzed concurrently with the test samples.
Results and discussion
- Positive control results:
- Cinnamic aldehyde (CAS #104-55-2)
The percent cysteine depletion values for the positive control sample replicates ranged from 72.2 to 73.6%. The percent lysine depletion values for the positive control sample replicates ranged from 66.2 to 67.6%. The mean percent cysteine and lysine depletion values for the respective positive control samples were 72.8 ± 0.7% (N = 3; CV = 0.987%) and 66.9 ± 0.7% (N = 3; CV = 0.99%), respectively.
The mean percent cysteine and lysine depletion values for the respective positive control samples were in the range allowed by the OECD guideline (1). Precipitate was not present in the cysteine positive control samples upon initial preparation (i.e. 0 hours) and following approximately 24 hours of incubation.
Precipitate was not present in the lysine positive control samples upon initial preparation (i.e. 0 hours) but was present following approximately 24 hours of incubation.
In vitro / in chemico
Resultsopen allclose all
- Parameter:
- other: mean percent cysteine depletion
- Value:
- 1.47
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Parameter:
- other: mean percent lysine depletion
- Value:
- 0.923
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Other effects / acceptance of results:
- DPRA testing was performed on test material, using both cysteine and lysine-containing peptides. The cysteine and lysine peptide assay sequence passed all guideline acceptance criteria (1). The test material was prepared at concentrations of approximately 100 mM.
The mean percent cysteine and lysine depletion values for BVE were 1.47 ± 1.43% (N = 3; CV = 97.5%) and 0.923 ± 0.791% (N = 3; CV = 85.6%), respectively. The test substance did not co-elute with either the cysteine or lysine-containing peptides. Precipitate was present in the cysteine and lysine test substance’s assay samples upon initial preparation of the test substance solutions (i.e. 0 hours).
Precipitate present in the cysteine and lysine test substance assay samples following 24 hours of incubation. Since both the cysteine and lysine assays were valid for the test substance, the OECD cysteine 1:10/lysine 1:50 prediction model (exhibited below) was used as a reference for the assignment of a reactivity class to the test substance
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The mean depletion of cysteine and lysine for test material was 1.47 ± 1.43 (N=3, CV=97.5%) and 0.923 ± 0.791 (N=3; CV=85.6%), respectively. No formal DPRA prediction could be assigned due to the lack of reactivity with the presence of precipitate. The presence of precipitate could cause an underestimation of peptide depletion, therefore a negative result cannot definitely classify a compound using the cysteine 1:10/lysine 1:50 prediction model.
- Executive summary:
Three replicate solutions of test material and cysteine or lysine containing peptides at a molar ratio of 1:10 and 1:50, respectively, were incubated for 24 ± 2 hours. Quantitation of the respective peptide was determined by comparison of test samples to concurrent external standards containing the respective peptide in buffer. Peptide depletion was calculated by the comparison of mean peak area of solvent matched control samples to the test substance samples. The mean depletion of cysteine and lysine for test material was 1.47 ± 1.43 (N=3, CV=97.5%) and 0.923 ± 0.791 (N=3; CV=85.6%), respectively. No formal DPRA prediction could be assigned due to the lack of reactivity with the presence of precipitate. The presence of precipitate could cause an underestimation of peptide depletion, therefore a negative result cannot definitely classify a compound using the cysteine 1:10/lysine 1:50 prediction model.
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.