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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 217-044-3 | CAS number: 1729-67-5
- 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:
- From 2019-02-05 to 2019-02-12
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study performed to current OECD guidelines with no significant deviations and run in OECD GLP certified lab.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- 2015
- Deviations:
- no
- GLP compliance:
- yes
- Type of study:
- other: Direct Peptide Reactivity Assay (DPRA)
Test material
- Reference substance name:
- Methyl 2,3-dibromopropionate
- EC Number:
- 217-044-3
- EC Name:
- Methyl 2,3-dibromopropionate
- Cas Number:
- 1729-67-5
- Molecular formula:
- C4H6Br2O2
- IUPAC Name:
- methyl 2,3-dibromopropanoate
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Purity: 98%
Batch No.: 800327680
In chemico test system
- Details on the study design:
- TEST MATERIAL
- Amount(s) applied (volume or weight with unit): 46.54 mg for both the cysteine and lysine reactivity assay
- Purity: 98%
SOLVENT USED: Acetonitrile (ACN)
POSITIVE CONTROL USED
- Solutions for Cysteine Reactivity Assay: 750 µL Stock solution of 0.667 mM SPCC (Synthetic Peptide Containing Cysteine) + 200 µL ACN + 50 µL Cinnamic aldehyde solution (100 mM in ACN)
- Solutions for Lysine Reactivity Assay: 750 µL Stock solution of 0.667 mM SPCL (Synthetic Peptide Containing Lysine) + 250 µL Cinnamic aldehyde solution (100 mM in ACN)
CO-ELUTION CONTROL (CC):
- Solutions for Cysteine Reactivity Assay: 750 µL Phosphate buffer pH 7.5 + 200 µL ACN + 50 µL test solution (100 mM)
- Solutions for Lysine Reactivity Assay: 750 µL Ammonium acetate buffer pH 10.2 + 250 µL test solution (100 mM)
REFERENCE CONTROL
- Solutions for Cysteine Reactivity Assay: 750 µL of the 0.667 mM SPCC stock solution + 250 µL ACN.
- Solutions for Lysine Reactivity Assay: 750 µL of the 0.667 mM SPCL stock solution + 250 µL ACN.
NUMBER OF REPLICATES
Co-elution control (CC) samples: 1 for both the cysteine and lysine reactivity assay
Positive control samples: 3 each for both the cysteine and lysine reactivity assay
Test item: 3 each for both the cysteine and lysine reactivity assay
Reference Control samples: 3 each for both the cysteine and lysine reactivity assay
SAMPLE INCUBATIONS
The samples (reference controls, calibration solutions, co-elution control, positive controls and test item samples) were placed in the autosampler in the dark and incubated at 25 ± 2.5 °C.
The incubation time between placement of the samples in the autosampler and analysis of the first RCcysB- or RClysB-sample was 23 hours. The time between the first RCcysB- or RClysB-injection and the last injection of a cysteine or lysine sequence, respectively, did not exceed 30 hours.
Results and discussion
- Positive control results:
- Cysteine Reactivity Assay
The mean Percent SPCC Depletion for the positive control cinnamic aldehyde was 72.1% ± 0.1%. This was within the acceptance range of 60.8% to 100% with a SD that was below the maximum (SD <14.9%).
Lysine Reactivity Assay
The mean Percent SPCL Depletion for the positive control cinnamic aldehyde was 64.8% ± 1.7%. This was within the acceptance range of 40.2% to 69.0% with a SD that was below the maximum (SD <11.6%).
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: Cysteine Reactivity Assay
- Parameter:
- other: SPCC depletion%
- Value:
- 100
- Positive controls validity:
- valid
- Remarks on result:
- other: the mean SPCC depletion of the test item
- Key result
- Run / experiment:
- other: Lysine Reactivity Assay
- Parameter:
- other: SPCL depletion%
- Value:
- 93.8
- Positive controls validity:
- valid
- Remarks on result:
- other: the mean SPCL depletion of the test item
- Other effects / acceptance of results:
- - Precipitation: No precipitate or phase separation was observed in any of the samples while after incubation, a phase separation was only observed in the SPCC test item samples.
- Test Acceptability: all acceptability criteria were met this DPRA is considered to be valid.
Any other information on results incl. tables
In the cysteine reactivity assay the test item showed 100.0% SPCC depletion while in the lysine reactivity assay the test item showed 93.8% SPCL depletion. The mean of the SPCC and SPCL depletion was 96.9% and as a result the test item was considered to be positive in the DPRA and classified in the “highreactivityclass” when using the Cysteine 1:10 / Lysine 1:50 prediction model.
Applicant's summary and conclusion
- Interpretation of results:
- other: positive
- Conclusions:
- The test item was considered to be positive in the DPRA and classified in the "high reactivity class" when using the Cysteine 1:10 / Lysine 1:50 prediction model.
- Executive summary:
The objective of this study was to determine the reactivity of the test substance towards model synthetic peptides containing either cysteine (SPCC) or lysine (SPCL) according to OCED Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA)).
After incubation of the test item with either SPCC or SPCL, the relative peptide concentration was determined by High-Performance Liquid Chromatography (HPLC) with gradient elution and spectrophotometric detection at 220 nm and 258 nm. SPCC and SPCL Percent Depletion Values were calculated and used in a prediction model which allows assigning the test item to one of four reactivity classes used to support the discrimination between sensitizers and non-sensitizers.
Upon preparation of the SPCC and SPCL test item samples, no precipitate or phase separation was observed in any of the samples while after incubation, a phase separation was only observed in the SPCC test item samples.
In the cysteine reactivity assay the test item showed 100.0% SPCC depletion while in the lysine reactivity assay the test item showed 93.8% SPCL depletion. The mean of the SPCC and SPCL depletion was 96.9%.
As a result the test item was considered to be positive in the DPRA and classified in the "high reactivity class" when 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.