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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 202-601-5 | CAS number: 97-67-6
- 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
Short-term toxicity to fish
Administrative data
- Endpoint:
- short-term toxicity to fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPIWIN software by US-EPA
2. MODEL (incl. version number)
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 97-67-6
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint:
Decimal logarithm of the freshwater fish 96h LC50 values in milimoles per liter (mmol/L)
- Unambiguous algorithm:
log LC50(mmol/L) = -0.8799 log Kow + 1.6467 (neutral organics)
The only descriptor used in the model is octanol-water partition coefficient, log Kow. Water solubility is relevant: if the LC50 exceeds the water solubility by 10x, no effects at saturation are predicted.
- Defined domain of applicability:
In principle, each ECOSAR model is applicable for substances belonging to the respective chemical class. The class of the substance is recognized by the program itself, based on the molecular structure. If no special class can be assigned, it is assumed that the compound belongs to the “neutral organics” class. It is however possible that the compound contains structural groups not represented in the training set (or represented there in less instances), so that the toxicity can be additionally influenced. These points should be taken into account while assessing the compliance with the applicability domain of the model.
Limitations:
If the log Kow value is greater than 5.0, or if the compound is solid and the LC50 exceeds the water solubility by 10X, no effects at saturation are predicted.
Additionally, the applicability domain is estimated with respect to log Kow and molecular weight.
For neutral organics, these are:
Maximum log Kow: 5.0, maximum MW: 1000 (neutral organics)
- Appropriate measures of goodness-of-fit and robustness and predictivity:
Neutral organics: N = 327+61 (number of compounds included + not included in regression equation), R2 = 0.8753 (coefficient of determination)
- Mechanistic interpretation:
For acute effects caused by neutral organics, the mechanistic interpretation is related to the partitioning of the substance from water into the lipid phase of the organism (log Kow as mechanistically justified descriptor). This relationship is extrapolated to other classes of substances and to long term effects. In those cases it is assumed that basically log Kow remains a toxicity trigger and other specific or non-specific effects are included in the QSAR equation, determining the slope and the intercept.
5. APPLICABILITY DOMAIN
- Other considerations (as appropriate):
The very low toxicity for L-malic acid predicted be the model is supported by experimental data for the very similar compound fumaric acid (CAS 110-17-8). Fumaric acid has a predicted LC50 of >100 mg/l (53316 mg/l) and experimental data confirmed the low toxicity as the LC50 is >100 mg/l (NOEC 100 mg/l) in a limit test according to OECD 203 (see dissesminated REACH dossier for fumaric acid CAS 110-17-8).
6. ADEQUACY OF THE RESULT
The substance fits in the applicability domain of the model. The prediction is valid and can be used for classification and risk assessment.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
- Principles of method if other than guideline:
- Calculation based on ECOSAR v1.11, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
Test material
- Reference substance name:
- L-malic acid
- EC Number:
- 202-601-5
- EC Name:
- L-malic acid
- Cas Number:
- 97-67-6
- Molecular formula:
- C4H6O5
- IUPAC Name:
- malic acid
- Test material form:
- solid
Constituent 1
Results and discussion
Effect concentrations
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- > 100 mg/L
- Remarks on result:
- other: predicted LC50: 2.23e+006 mg/l; Chemical may not be soluble enough to measure this predicted effect
- Details on results:
- For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
Applicant's summary and conclusion
- Conclusions:
- The predicted LC50 for L-malic acid is significantly > 100 mg/l
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.