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Diss Factsheets
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EC number: 629-770-1 | CAS number: 57968-71-5
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- November 30th, 2015
- 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:
- iSafeRat® High-Accuracy-Quantitative Structure-Activity Relationship (HA-QSAR) based on a holistic approach for predicting physicochemical and ecotoxicological endpoints: Water solubility
1. SOFTWARE
iSafeRat® HA-QSAR toolbox
2. MODEL (incl. version number)
iSafeRat® holistic HA-QSAR v1.5
3. IDENTIFIERS USED AS INPUT FOR THE MODEL
logKOW of the substance predicted using the iSafeRat® Log KOW module with the molecular structure (SMILES code) as the input (see attached QPRF).
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached QPRF
6. ADEQUACY OF THE RESULT
See attached QPRF - Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- QSAR
- Deviations:
- not applicable
- Principles of method if other than guideline:
- See attached QMRF and QPRF
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Key result
- Water solubility:
- 1 410 g/L
- Temp.:
- 25 °C
- pH:
- ca. 0 - ca. 14
- Remarks on result:
- other: falls inside the applicability domain
- Details on results:
- 95% confidence limits (g test items.L-1) =1060 - 1890
- Conclusions:
- The Water Solubility of DIETHYL TARTRATE is predicted as follows : 1410 g/L with 95% confidence limits = 1060-1890 g/L at 25°C.
The predicted water solubility of the liquid test item is higher than the density, the DIETHYL TARTRATE can be considered as fully miscible. - Executive summary:
The Water Solubility of the substance DIETHYL TARTRATE, has been calculated using the model iSafeRat® Holistic HA-QSAR v1.5. giving the log Kow as input. DIETHYL TARTRATE falls inside the Applicability Domain of the model.
The Water Solubility of DIETHYL TARTRATE is predicted as 1410 g/L, 95% confidence limits = 1060 -1890 g/L at 25°C.
The predicted water solubility of the liquid test item is higher than the density, the DIETHYL TARTRATE can be considered as fully miscible.
Reference
Description of key information
The Water Solubility of DIETHYL TARTRATE is predicted to be 1410 g/L with 95% confidence limits = 1060-1890 g/L at 25°C. (estimated by QSAR)
Key value for chemical safety assessment
- Water solubility:
- 1 410 g/L
- at the temperature of:
- 25 °C
Additional information
The Water Solubility of the substance DIETHYL TARTRATE, has been calculated using the model iSafeRat® Holistic HA-QSAR v1.5.giving the log Kow as input. DIETHYL TARTRATE falls inside the Applicability Domain of the model.
The Water Solubility of DIETHYL TARTRATE is predicted to be 1410 g/L, 95% confidence limits = 1060 -1890 g/L at 25°C.
Therefore the substance is considered as very soluble.
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.
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