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Diss Factsheets
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EC number: 939-066-9 | CAS number: -
- 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:
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached the QMRF and QPRF for the QSAR model
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Gold, P.I. and Ogle, G.J. 1969. Estimating thermophysical properties of liquids. Part 4 - Boiling, freezing and triple-point temperatures. Chem. Eng. 76: 119.
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using Multivariate Statistical Techniques. Stevens Institute of Technology, submitted to the Dept. of Chem. Eng. for M.S. Degree at the Massachusetts Institute of Technology in June 1984.
Reid, R.C., Prausnitz, J.M. and Poling, B.E. 1987. The Properties of Gases and Liquids. Fourth edition. NY: McGraw-Hill, Inc., Chapter 2. - Specific details on test material used for the study:
- SMILES: N(H)(H)(H)(H)OC(=O)CCCCCCCCCCCCCCCCC
- Key result
- Melting / freezing pt.:
- 213.23 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The estimated melting point is 213.23 ºC (EPI-Suite, MPBPWIN v1.43)
- Executive summary:
The substance estimated melting point is 213.23 ºC (EPI-Suite, MPBPWIN v1.43)
- Endpoint:
- melting point/freezing point
- 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
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached the QMRF and QPRF for the QSAR model
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Gold, P.I. and Ogle, G.J. 1969. Estimating thermophysical properties of liquids. Part 4 - Boiling, freezing and triple-point temperatures. Chem. Eng. 76: 119.
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using Multivariate Statistical Techniques. Stevens Institute of Technology, submitted to the Dept. of Chem. Eng. for M.S. Degree at the Massachusetts Institute of Technology in June 1984.
Reid, R.C., Prausnitz, J.M. and Poling, B.E. 1987. The Properties of Gases and Liquids. Fourth edition. NY: McGraw-Hill, Inc., Chapter 2. - Specific details on test material used for the study:
- SMILES: N(H)(H)(H)(H)OC(=O)CCCCCCCCCCCCCCC
- Key result
- Melting / freezing pt.:
- 202.39 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: QSAR predicted value
- Conclusions:
- The estimated melting point is 202.39 ºC (EPI-Suite, MPBPWIN v1.43)
- Executive summary:
The substance estimated melting point is 202.39 ºC (EPI-Suite, MPBPWIN v1.43)
- Endpoint:
- melting point/freezing point
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
The study is technically not feasible since the substance decomposes before melting. - Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 12.12.2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- Test method according to internal procedures. Scientifically reliable.
- Principles of method if other than guideline:
- - Principle of test:
The melting point of the substance Fatty acids, C16 -18 (even numbered), ammonium salts in water solution was investigated by DSC (differential scanning calorimetry) method.
- GLP compliance:
- no
- Key result
- Melting / freezing pt.:
- > 70 - < 120 °C
- Decomposition:
- yes
- Remarks:
- (ammonium and fatty acids)
- Conclusions:
- The study is not technically feasible since the test item is not stable and decomposes before melting. Ammonia is lost by higher temperatures or under air. A clear melting point was not detectable (melting range between 70 °C and 120 °C).
Referenceopen allclose all
MPBPVP predicted that ammonium stearate has a melting point of 213.23ºC.
MPBPVP predicted that ammonium palmitate has a melting point of 202.39ºC
In the first heating rate the endothermic effects could be observed in the temperature range of 70ºC to 120 ºC, which could be allocated to the melting of the test item. In the literature a melting range of 90 to 110 °C is mentioned. But under air, ammonia is lost. At higher temperature ammonia is also lost (endothermic area between 120 °C and 180 °C).
In the second heating rate the endothermic effect between 70 to 180 °C was disappeared. There was a narrow endothermic peak between 40 and 70 °C. The calculated melting point was 54,55 °C.
As comparison the melting point of “Fatty acids, C16-18” was determined. The endothermic peaks were comparable.
Melting point of “Fatty acids, C16-18”: 56,95 °C.
Melting point of test item: 54,55 °C.
The differences were based on the slightly differential C-chain distributions.
Description of key information
Data waiving (study technically not feasible): The study is technically not feasible since the substance decomposes before melting.
Key value for chemical safety assessment
Additional information
Data waiving (study technically not feasible): The study is technically not feasible since the substance decomposes before melting.
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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