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EC number: 201-064-4 | CAS number: 77-86-1
- 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 vitro
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- GLP-guideline study, tested with the source substance 2-amino-2-methyl-1,3-propanediol (CAS 115-69-5). In accordance to the ECHA guidance document "Practical guide 6: How to report read-across and categories (March 2010)", the reliability was changed from RL1 to RL2 to reflect the fact that this study was conducted on a read-across substance.
- Justification for type of information:
- The jusitification for read-across has been attached in section 13 of this IUCLID.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
- Principles of method if other than guideline:
- To test direct peptide reactivity which is a key pathway leading to skin sensitisation, the test substance was investigated for peptide depletion by chemical reaction. The assay method established by Natsch and Gfeller (2008) was validated and improved in the testing facility and utilised in this study.
- GLP compliance:
- yes
- Type of study:
- other: peptide binding assay
- Justification for non-LLNA method:
- Use of an in vitro methos to assess senstization potential by assessment of peptide reactivity
Test material
- Reference substance name:
- 2-amino-2-methyl-1,3-propanediol
- IUPAC Name:
- 2-amino-2-methyl-1,3-propanediol
- Details on test material:
- - Name of test material (as cited in study report): XU-12398.00
- Molecular formula (if other than submission substance): C4H11NO2
- Molecular weight (if other than submission substance): 105.1
- Analytical purity: 99.9%
Constituent 1
In vitro test system
- Details on the study design:
- Method developed by Natsch and Gfeller (2008) uses a single peptide and analyzes depletion of the peptide and formation of a the covalent adduct with LC-MS methods.Briefly, a standard hepta-peptide containing one cysteine, two lysines is incubated with a 10-fold excess of test article in neutral pH condition. After a 24 hour incubation, the reaction mixture is subjected to the HPLC-UV-MS analyses to measure remaining parent peptides. The amount of depleted peptide due to reaction with the test article will be calculated and used to determine protein reactivity of the test article which is then used as to evaluate the skin sensitization potential. Based on the results from previous studies, if there is more than 15% peptide depletion by the test article, the chemical is likely to have skin sensitization potential (Gerberick et al., 2004; Natsch and Gfeller 2008). Furthermore, formation of covalent adducts between the peptide and test articles would be considered as an indicator of potential skin sensitization.
Results and discussion
In vitro / in chemico
Results
- Key result
- Parameter:
- other: Peptide depletion
- Remarks:
- Negative peptide reactivity
- Value:
- 4.22
- Vehicle controls validity:
- valid
- Remarks:
- Negative control; vehicle control
- Negative controls validity:
- valid
- Remarks:
- Same as vehicle control
- Positive controls validity:
- valid
- Remarks:
- Diethyl malaete
- Remarks on result:
- other: Other: peptide reactivity
- Remarks:
- Negative for peptide reactivity
Any other information on results incl. tables
The test substance was completely soluble in acetonitrile and was not precipitated by mixing with peptide solutions. After 24 h incubation, there was no colour change or a precipitate observed from the test substance. The test article did not have any UV absorbance at 220 nm through entire HPLC chromatography and therefore there was no interference with HPLC-UV analyses for peptides. Furthermore, the test substance did not interfere with the MS detections used in the test system that were monitoring higher than 700.0 m/z. Using the established calibration curve, the concentrations of free peptide were calculated for each sample (Table 1). Average peptide depletion by the test substance was 4.22 ± 1.84%. Negative and positive controls resulted in 4.83 ± 1.66% and 96.13 ± 0.21% peptide depletion, respectively. These results confirmed the assay was valid. Because there was no peptide depletion by the test substance, no further analysis was performed to measure dimerized- or oxidized-peptide by the test substance.
Table 1: Individual data from free peptide quantitation and average peptide depletion
Group |
Replicate# | Analyte Peak Area (counts) |
Peptide conc. (mM) | Peptide depletion (%) |
Average depletion (%) | |||
Test substance |
1 |
15300000 |
98.03 |
1.97 |
4.22 ± 1.84 |
|||
2 |
15200000 |
97.37 |
2.63 |
|||||
3 |
14700000 |
94.07 |
5.93 |
|||||
4 |
14700000 |
94.07 |
5.93 |
|||||
5 |
14900000 |
95.39 |
4.61 |
|||||
Negative control |
1 |
14600000 |
93.40 |
6.60 |
4.83 ± 1.66 |
|||
2 |
14900000 |
95.39 |
4.61 |
|||||
3 |
15100000 |
96.71 |
3.29 |
|||||
Positive control |
1 |
1030000 |
3.78 |
96.22 |
96.13 ± 0.21 |
|||
2 |
1080000 |
4.11 |
95.89 |
|||||
3 |
1020000 |
3.71 |
96.29 |
Applicant's summary and conclusion
- Interpretation of results:
- other: Under the test conditions, there is no evidence that the test substance contains direct protein reactivity which would cause skin sensitisation.
- Remarks:
- Criteria used for interpretation of results: EU
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