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EC number: 288-752-8 | CAS number: 85895-78-9
- 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
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017-05-24
- 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:
- The test item Potassium-(S)-lactate is only available and marketed as concentrated aqueous solution due to the substance's hygroscopic properties. Experimental determination of the melting point of an aqueous solution is not reasonable because the result will be highly influenced by the presence of water. Therefore, the melting point of the test item is estimated by QSAR prediction. Please refer to QPRF/QMRF documentation for detailed information on model suitability.
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using MPBPVP v1.43 of EpiSuite v4.1.
- GLP compliance:
- no
- Type of method:
- other: QSAR calculation.
- Specific details on test material used for the study:
- Canonical: CC(C(=O)[O-])O.[K+];
Isomeric: C[C@@H](C(=O)[O-])O.[K+];
Stereoisomers do exist. The input of the respective canonical SMILES and isomeric SMILES (see above) for Potassium-(S)-lactate and Potassium-(R)-lactate all result in identical QSAR predictions. Stereochemistry is not expected to influence melting point predictions for the different lactates. - Melting / freezing pt.:
- 304.9 °C
- Remarks on result:
- other: Adapted Joback Method
- Melting / freezing pt.:
- 141.3 °C
- Remarks on result:
- other: Gold & Ogle Method
- Melting / freezing pt.:
- 223.1 °C
- Remarks on result:
- other: Mean value
- Key result
- Melting / freezing pt.:
- 174 °C
- Remarks on result:
- other: Weighted value used for assessment.
- Conclusions:
- Estimated melting points from MPBPWIN can only be recommended for screening purposes. However, due to the substance’s hygroscopic properties, the test item Potassium-(S)-lactate is only available and marketed as aqueous solution and therefore the melting point estimation for the “pure” substance using the MPBPVP methodology is considered adequate for a regulatory conclusion. The estimated melting point for Potassium-(S)-lactate is 174.0 °C.
- Executive summary:
Crystalline Potassium-(S)-lactate has strong hygroscopic properties and is extremely difficult to isolate. Therefore, the substance is only manufactured and marketed as a concentrated aqueous solution. It can be concluded that the experimental determination of the melting point of an aqueous solution of Potassium-(S)-lactate is not representative for the "pure" substance. Therefore, a QSAR estimation using MPBPVP v1.43 of EpiSuite v4.1 is considered to be more practical in this case. The estimated melting point for "pure" Potassium-(S)-lactate is 174.0 °C and the substance is considered to be in the applicability domain of the model. MPBPVP methodology is considered adequate for a regulatory conclusion.
- Endpoint:
- melting point/freezing point
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- For details and justification of read-across please refer to the read-across report attached to IUCLID section 13.
- Reason / purpose for cross-reference:
- read-across source
- Melting / freezing pt.:
- -1.6 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Remarks on result:
- other: 5 % (w/w) solution of potassium lactate in water.
- Melting / freezing pt.:
- -3.7 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Remarks on result:
- other: 10 % (w/w) solution of potassium lactate in water.
- Melting / freezing pt.:
- -8.6 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Remarks on result:
- other: 20 % (w/w) solution of potassium lactate in water.
- Melting / freezing pt.:
- -16.1 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Remarks on result:
- other: 30 % (w/w) solution of potassium lactate in water.
- Melting / freezing pt.:
- -28.1 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Remarks on result:
- other: 40 % (w/w) solution of potassium lactate in water.
- Melting / freezing pt.:
- -51 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Remarks on result:
- other: 50 % (w/w) solution of potassium lactate in water.
- Conclusions:
- The melting point of different concentrated aqueous solutions of Potassium lactate were determined by the freezing temperature method. As a result the following freezing/melting points for the different Potassium lactate concentrations in water were determined:
5 % (w/w) Potassium lactate in water: m.p. = -1.6 °C;
10 % (w/w) Potassium lactate in water: m.p. = -3.7 °C;
20 % (w/w) Potassium lactate in water: m.p. = -8.6 °C;
30 % (w/w) Potassium lactate in water: m.p. = -16.1 °C;
40 % (w/w) Potassium lactate in water: m.p. = -28.1 °C;
50 % (w/w) Potassium lactate in water: m.p. = -51.0 °C. - Executive summary:
In this experimental study, which is comparable to an OECD 102 (freezing temperature method), the freezing points of different aqueous solutions of Potassium lactate have been determined. Crystalline Potassium lactate is hygroscopic and extremely difficult to isolate, thus only manufactured and marketed as a concentrated aqueous solution.
As a result the following freezing/melting points for the different Potassium lactate concentrations in water were determined:
5 % (w/w) Potassium lactate in water: m.p. = -1.6 °C;
10 % (w/w) Potassium lactate in water: m.p. = -3.7 °C;
20 % (w/w) Potassium lactate in water: m.p. = -8.6 °C;
30 % (w/w) Potassium lactate in water: m.p. = -16.1 °C;
40 % (w/w) Potassium lactate in water: m.p. = -28.1 °C;
50 % (w/w) Potassium lactate in water: m.p. = -51.0 °C.
This information is used in a read-across approach in the assessment of the target substance.
Referenceopen allclose all
See QPRF/QMRF.
A solution more concentrated than those given in the table could not be cryst:allized at temperature higher than -70° C but formed a glassy solid. 60 % Potassium lactate could not be stirred at -35 °C and became solid at about -65 °C. This concentrated solution would perhaps crystallize on long standing at very low temperatures, but it is doubtful if the exact crystallizing temperature could be detected.
Concentration of solution / % (w/w) |
Melting point [°C] |
5 |
-1.6 |
10 |
-3.7 |
20 |
-8.6 |
30 |
-16.1 |
40 |
-28.1 |
50 |
-51.0 |
Description of key information
The QSAR estimation using MPBPVP v1.43 of EpiSuite v4.1 resulted in a melting point of 174.0 °C for Potassium-(S)-lactate.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 174 °C
Additional information
Crystalline Potassium-(S)-lactate has strong hygroscopic properties and is extremely difficult to isolate. Therefore, the substance is only manufactured and marketed as a concentrated aqueous solution. It can be concluded that the experimental determination of the melting point of an aqueous solution of Potassium-(S)-lactate is not representative for the "pure" substance. Therefore, a QSAR estimation using MPBPVP v1.43 of EpiSuite v4.1 is considered to be more practical in this case. The estimated melting point for "pure" Potassium-(S)-lactate is 174.0 °C and the substance is considered to be within the applicability domain of the model. MPBPVP methodology is considered adequate for a regulatory conclusion.
Supporting information for this endpoint can be derived from an experimental study, comparable to an OECD 102 (freezing temperature method), in which the freezing points of different concentrated aqueous solutions of Potassium lactate were determined:
5 % (w/w) Potassium lactate in water: m.p. = -1.6 °C;
10 % (w/w) Potassium lactate in water: m.p. = -3.7 °C;
20 % (w/w) Potassium lactate in water: m.p. = -8.6 °C;
30 % (w/w) Potassium lactate in water: m.p. = -16.1 °C;
40 % (w/w) Potassium lactate in water: m.p. = -28.1 °C;
50 % (w/w) Potassium lactate in water: m.p. = -51.6 °C.
A solution more concentrated than those mentioned above could not be crystallized at temperatures higher than -70 °C but formed a glassy solid. A 60 % (w/w) Potassium lactate solution could not be stirred at -35 °C and became solid at about -65 °C. It can be assumed that the melting point of the target substance Potassium-(S)-lactate in aqueous solution with concentrations between 60 and 78 % (w/w) are below -65 °C.
The supporting information is used in a read-across approach in the assessment of the substance to be registered.
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