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EC number: 222-226-0 | CAS number: 3391-86-4
- 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:
- weight of evidence
- Study period:
- Study carried out from 9 November 2015 to 26 November 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- Principles of method if other than guideline:
- The Direct Peptide Reactivity Assay (DPRA) is an in chemico test to determine the reactivity of test a substance towards peptides.
This assay has been validated for a broad range of low-molecular weight chemicals and it was found to detect reactive skin sensitizers from a broad range of so called applicability domains, i.e. chemicals reacting with proteins by different mechanisms. It was validated by ECVAM and proposed to be used as part of an integrated approach for testing and assessment (IATA). - GLP compliance:
- yes
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Oct-1-ene-3-ol
- EC Number:
- 222-226-0
- EC Name:
- Oct-1-ene-3-ol
- Cas Number:
- 3391-86-4
- Molecular formula:
- C8H16O
- IUPAC Name:
- oct-1-en-3-ol
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Lot No.: VE00345297
Physical form: Liquid
Purity: 99.8%
In chemico test system
- Details on the study design:
- The test substance AMYL VINYL CARBINOL was dissolved in acetonitrile and mixed with a Cysteine- and a Lysine-containing peptide according to the standard operating procedure of the DPRA. One study with three replicates was conducted. After 24 h incubation time, peptide depletion induced by AMYL VINYL CARBINOL was determined by HPLC-UV.
Results and discussion
- Positive control results:
- As indicated in Table 7, all the acceptance criteria were fulfilled for the positive control cinnamic aldehyde, with the exception of the CV for the Lys peptide which is at 12.4%, and thus slightly above the threshold of 11.6. However since this is so close to the threshold and the three individual depletion values (64.6, 50.9, 62.6) all nicely fall in the target range and the historical range (Table C1), this was considered an acceptable deviation.
In vitro / in chemico
Resultsopen allclose all
- Parameter:
- other: Cys-peptide depletion
- Value:
- 65.2
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- Value is a percentage
- Parameter:
- other: Lys-peptide depletion
- Value:
- 1.2
- Vehicle controls validity:
- valid
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- positive indication of skin sensitisation
- Remarks:
- Value is a percentage
- Other effects / acceptance of results:
- The test substance gave 65.2 % depletion of the Cys-peptide and 6.7 % depletion of the Lys-peptide. The average peptide depletion is 36.0 %. This is below the threshold of 22.6%, and the substance is thus attributed to the “moderate” reactivity class, rating it as a sensitizer according to the DPRA prediction model.
Acceptance criteria: The standard deviation for Cys-peptide depletion should be < 14.9% and for Lys-peptide depletion < 11.6%. These criteria were fulfilled (4.7% and 0.3% SD, respectively).
The co-elution controls indicated no co-elution with an UV-absorbing component.
Any other information on results incl. tables
Average | Standard deviation | |
Cys-peptide depletion | 65.2 | 4.7 |
Lys-peptide depletion | 6.7 | 0.3 |
Average depletion Cys-and Lys-peptide | 36.0 | |
Reactivity Class | MODERATE | |
Prediction | Sensitizer | |
Elution time Cys peptide | 10.75 | |
Elution time test substance Cys peptide run | No UV peak | |
Elution time Lys peptide | 8.02 | |
Elution time test substance Lys peptide run | No UV peak |
Applicant's summary and conclusion
- Interpretation of results:
- Category 1B (indication of skin sensitising potential) based on GHS criteria
- Conclusions:
- The result of the DPRA assay should be used as part of an integrated approach for testing and assessment (IATA). A parallel test in the KeratinoSens™ assay may indicate whether congruent results are obtained by both test methods. According to a detailed analysis on large set of chemicals, two congruent results in these two tests give a good prediction of the sensitizer hazard [3-5] particularly when predicting human data, while an additional test in a dendritic cell line assessing expression of surface markers may be needed in case of discordant results.
AMYL VINYL CARBINOL was peptide-reactive and classified into the moderate reactivity class according to the prediction model. It is therefore considered a sensitizer according to the prediction model of the DPRA. - Executive summary:
AMYL VINYL CARBINOL was peptide-reactive and classified into the moderate reactivity class according to the prediction model. It is therefore considered a sensitizer according to the prediction model of the DPRA.
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