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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
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EC number: 246-186-9 | CAS number: 24347-58-8
- 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
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Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 9 Mai 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Algorithms for automated data gap filling have been developed for acute aquatic toxicity to fish (Pimephales promelas, Mortality, LC50, 96 h) by the OECD QSAR Toolbox, Laboratory of Mathematical Chemistry, Bourgas University, Bulgaria. Once started, the automated workflows (AWs) follow the implemented logic and finished with prediction without interaction by the user. Trend analysis is the appropriate data-gap filling method for quantitative endpoints – such as 96h-LC50 for fish – if a high number of analogues with experimental results are identified. The trend analysis method implemented in the OECD QSAR Toolbox uses available experimental data in the data matrix to fill a data gap.
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- In silico prediction executed by QSAR Toolbox v.4.2. Automated Workflow (AW) of Acute Fish Toxicity for (2R,3R)-butane-2,3-diol.
- GLP compliance:
- no
- Analytical monitoring:
- not required
- Vehicle:
- no
- Test organisms (species):
- Pimephales promelas
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 2 830 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: CI: 2,83E+03 to 1,47E+05; mean 2,04E+04 mg/L
- Details on results:
- Predicted endpoint: EC50, LC50; Mortality; Pimephales promelas; 96h; No guideline specified
Predicted value: 2,04E+04 (from 2,83E+03 to 1,47E+05)
Unit/scale: mg/L
Data gap filling method: Trend analysis, executed via Automated "Ecotoxicological Endpoint" - Sublethal observations / clinical signs:
Analogue(s) selection
(OECD principle 3 - Applicability domain)
Database(s) used:
- Aquatic ECETOC
- Aquatic OASIS
- ECHA CHEM
- ECOTOX
Category boundaries (applicability domain):
- Active descriptor(s) range: - log Kow: from -1.2 to 4.77: target chemical is in domain
- Response range: EC50 <OR> LC50: from 1.01 to 4.37E+04 mg/L
Profilers:
- Basesurface narcotics (Acute aquatic toxicity MOA by OASIS) (primary grouping): target chemical is in domain
- Substance type (subcategorization): target chemical is in domain
- Aquatic toxicity classification by ECOSAR (subcategorization): target chemical is in domain
- Organic functional groups (US EPA) (subcategorization): target chemical is in domain
- Organic functional groups (subcategorization): target chemical is in domain
Additional data pruning:
- Data inconsistency filter 61 value(s) from 42 chemical(s)
- Filter by water solubility 98 value(s) from 53 chemical(s)
Manually eliminated data points:
- none
Uncertainty of the prediction
(OECD principle 4 - Uncertainty of the prediction):
The prediction is based on 20 values within range 1,01 - 4,37E+04 mg/L
Prediction confidence range (0,95%): ± 0,857 log(1/mol/L)
Target profiles
(OECD principle 5 - Chemical and biological mechanisms)
log Kow (calculated): -0.36
For more details please refer to the prediction report.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The estimated lethal concentration: 96h-LC (Pimephales promelas) = 2830 mg/L.
- Executive summary:
In this study, fish toxicity of (2R,3R)-butane-2,3-diol was predicted using the OECD QSAR Toolbox 4.2 automated workflow (data gap filling method: Trend analysis, executed via Automated "Ecotoxicological Endpoint"). No adaptations such as data pruning were performed, and the automated prediction was accepted as valid by the programme.
The estimated lethal concentration (96h-LC50) was 2830 mg/L for Pimephales promelas. Therefore, (2R,3R)-butane-2,3-diol is not expected to pose an acute toxic hazard to fish. The prediction was considered reliable and adequate for the aquatic hazard assessment.
Reference
Description of key information
Estimated lethal concentrations: 96h-LC (Pimephales promelas) = 2830 mg/L (OECD QSAR Toolbox v4.2, Automated Workflow, 2018).
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 2 830 mg/L
Additional information
In a reliable key study fish toxicity of (2R,3R)-butane-2,3-diol was predicted using the OECD QSAR Toolbox 4.2 automated workflow (data gap filling method: trend analysis, executed via Automated "Ecotoxicological Endpoint"). No adaptations such as data pruning were performed and the prediction accepted as valid by the programme. The estimated lethal concentration 96h-LC50 was 2830 mg/L for Pimephales promelas. The prediction was considered reliable and adequate for aquatic hazard assessment.
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.
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