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EC number: 826-704-5 | CAS number: 1631962-93-0
- 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 sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- The laboratory phase of the study was conducted from 18 December 2014 to 25 June 2015 at the Institute for In Vitro Sciences, Inc.
- 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:
- 2015
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 - OECD approved. The Direct Peptide Reactivity assay provides an in vitro procedure used for supporting the discrimination between skin sensitizers and non sensitizers in accordance with the UN GHS. According to REACH, In vivo methods can only be used if the in chemico or in vitro test methods are not adequate for the substance or cannot be used for classification and risk assessment.
Test material
- Reference substance name:
- 1-(2-methylpropyl)-4-(propoxymethyl)benzene
- EC Number:
- 826-704-5
- Cas Number:
- 1631962-93-0
- Molecular formula:
- C14H22O
- IUPAC Name:
- 1-(2-methylpropyl)-4-(propoxymethyl)benzene
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
-Source and lot/batch No of test material: Sponsor Lot No. RB272-88
-Expiration date of the lot/batch: 31 December 2015
-Purity: >99%
-Appearance: clear colorless liquid
-Storage condition of test material: Ambient temperature, dark
In chemico test system
- Details on the study design:
- The DPRA is an in chemico method which quantifies the remaining concentration of cysteine- or lysine-containing peptide following 24 hours incubation with the test chemical at 25+/- 2.5ºC. The synthetic peptides contain phenylalanine to aid in the detection. Relative peptide concentration is measured by high performance liquid chromatography (HPLC) with gradient elution and UV detection at 220 nm. Cysteine and lysine peptide percent depletion values are then calculated and used in a prediction model which allows assigning the test chemical to one of four reactivity classes used to support the discrimination between sensitisers and non-sensitisers.
Results and discussion
- Positive control results:
- Cinnamic aldehyde % peptide depletion for cysteine and lysine were 81.8% and 63.0%, respectively.
In vitro / in chemico
Results
- Key result
- Run / experiment:
- other: Single run
- Parameter:
- other: % mean peptide depletion of cysteine and lysine
- Value:
- 10.5
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
Any other information on results incl. tables
Prediction Model:
Mean Peptide Depletion of Cysteine and Lysine (%) |
DPRA Prediction |
Peptide Depletion of Cysteine (%) |
||
0 - 6.38 |
Minimal Reactivity |
Negative |
0 - 13.89 |
Minimal Reactivity |
6.39 - 22.62 |
Low Reactivity |
Positive |
13.90 - 23.09 |
Low Reactivity |
22.63- 42.47 |
Moderate Reactivity |
23.10- 98.24 |
Moderate Reactivity |
|
42.48 - 100 |
High Reactivity |
98.25 - 100 |
High Reactivity |
DPRA Results:
IIVS Test Article Number |
Sponsor’s Designation |
% Mean Peptide Depletion |
% Mean Peptide Depletion of Cysteine and Lysine |
Reactivity (Cysteine and Lysine) |
Potential Sensitizer? |
|
Cysteine |
Lysine |
|||||
14AQ07 |
FRET 11-0539 |
17.0 |
4.1 |
10.5 |
Low |
Yes |
Positive Control |
Cinnamic Aldehyde |
81.8 |
63.0 |
|
|
Applicant's summary and conclusion
- Interpretation of results:
- study cannot be used for classification
- Conclusions:
- Based on the results of the Direct Peptide Reactivity Assay for the test article, FRET 11-0539 (Lot# RB272-88), was predicted to be a potential skin sensitizer.
- Executive summary:
The Direct Peptide Reactivity Assay was used to assess the skin sensitization potenetial of the test substance, FRET 11-0539 (Lot# RB272 -88). The skin sensitization potential of the test substance was evaluated by measuring the depletion of synthetic peptides containing either cysteine or lysine amino acids following incubation with the test substance, using the protocol that is consistent with the OECD Test Guideline 442C “In ChemicoSkin Sensitization: Direct Peptide Reactivity Assay (DPRA)”[1]. Based upon the results of this study, the test substance, FRET 11-0539, was classified as a skin sensitizer.
[1] OECD Test Guideline 442C “In ChemicoSkin Sensitization: Direct Peptide Reactivity Assay (DPRA)”, Adopted 4 February 2015.
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