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EC number: 200-317-6 | CAS number: 57-15-8
- 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 vitro
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Version / remarks:
- Due to a HPLC error causing a delayed start of the sequence, the calibration sam-ples had to be moved from the beginning to the end of the analysis sequence to ensure measurement of the peptide samples in a timely manner. The deviation was assessed and signed by the study director on 30. Jan. 2018.
- Deviations:
- yes
- Remarks:
- see remarks
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- 1,1,1-trichloro-2-methyl-2-propanol hemihydrate
- Cas Number:
- 6001-64-5
- Molecular formula:
- C4H7Cl3O H2O
- IUPAC Name:
- 1,1,1-trichloro-2-methyl-2-propanol hemihydrate
- Test material form:
- solid: crystalline
- Details on test material:
- transparent and crystalline solid at ambient temperature
Constituent 1
In vitro test system
- Details on the study design:
- The direct peptide reactivity assay (DPRA) is an in chemico assay to quantify the reactivity of the test item towards cysteine and lysine containing peptides. This reactivity is related to the skin sensitisation potential. This study was performed in order to estimate the skin sensitisation potential of Chlorobutanol Hemihydrate using a peptide model. To quantify the sensitisation potential, the depletion of the cysteine and lysine containing peptides caused by known amounts of the test item was measured using HPLC. The assay was used for supporting the discrimination between skin sensitizers (i.e. UN GHS Category 1) and non-sensitizers in accordance with the UN GHS. A categorization in the sub-categories 1 A and 1 B is not possible.
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Run / experiment:
- other: Cysteine
- Parameter:
- other: Cys-peptide depletion [%]
- Value:
- 2.77
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Run / experiment:
- other: Lysine
- Parameter:
- other: Lys-Peptide depletion [%]
- Value:
- 1.75
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Key result
- Run / experiment:
- other: mean (Cysteine and Lysine)
- Parameter:
- other: Mean peptide depletion [%]
- Value:
- 2.26
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
Any other information on results incl. tables
Table: Calculated peptide depletion values for the Lys-Peptide
Sample name |
Depletion [%] |
||
Single |
Mean |
Standard Deviation |
|
Positive control Rep. 1 |
28.07 |
34.12 |
8.69 |
Positive control Rep. 2 |
30.21 |
||
Positive control Rep. 3 |
44.08 |
||
Test item Rep. 1 |
0.00 |
1.75 |
3.04 |
Test item Rep. 2 |
0.00 |
||
Test item Rep. 3 |
5.26 |
Table: Calculated peptide depletion values for the Cys-Peptide
Sample name |
Depletion [%] |
||
Single |
Mean |
Standard Deviation |
|
Positive control Rep. 1 |
83.72 |
84.28 |
0.75 |
Positive control Rep. 2 |
85.13 |
||
Positive control Rep. 3 |
83.99 |
||
Test item Rep. 1 |
0.00 |
2.77 |
2.43 |
Test item Rep. 2 |
3.75 |
||
Test item Rep. 3 |
4.54 |
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- All acceptance criteria were fulfilled, therefore the test was considered valid. The DPRA prediction for the test item Chlorobutanol Hemihydrate was negative with reactivity class minimal according to the Cysteine 1:10/Lysine 1:50 prediction model.
No observations arousing doubts concerning the accuracy of the results and the validity of the study were made. - Executive summary:
The study was performed in order to evaluate the reactivity of the test item Chlorobutanol Hemihydrate towards cysteine (Cys-) and lysine (Lys-) containing peptides. A 100 mM test item in acetonitrile was incubated 24 ± 2 h at 25 °C together with cysteine and lysine peptides, respectively, and the peptide concentration after the incubation was measured using HPLC-UV.
Three replicates were prepared using 1:10 and 1:50 molar ratio of the test item with the Cys- and Lys-peptide, respectively. Triplicate samples of the solvent without test item were incubated and measured in parallel. The peptide depletion values after incubation are:
Cys-peptide
depletion [%]Lys-Peptide
depletion [%]Mean peptide
depletion [%]2.77
1.75
2.26
According to the cysteine 1:10/lysine 1:50 prediction model, the DPRA predicition is “negative” with minimal reactivity.
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