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EC number: 604-604-0 | CAS number: 147770-06-7
- 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
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 1999
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Reference
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Feb 21 - May 31, 1999
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Version / remarks:
- 1995
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- capillary method
- Key result
- Melting / freezing pt.:
- 123 °C
- Decomposition:
- yes
- Decomp. temp.:
- ca. 300 °C
- Conclusions:
- In conclusion, the melting point of AGEE 623 Amidester was determined to be 123 °C (396K).
- Executive summary:
The determination of the melting point / melting range of AGEE 623 Amidester was performed in accordance with the EEC directive 92/69, Annex V, Part A, Methods for the determination of physico-chemical properties, A.1 “Melting Point / Melting Range” (1992) and OECD Guidelines for Testing of Chemicals, Guideline No. 102, “Melting Point / Melting Range” (1995) and EPA Product Properties Test Guideline OPPTS 830.7200 (1996).
The determination of the melting point / melting range was performed by visual judgement using the capillary method.
Using a linear heating rate of about 10K/min, AGEE 623 Amidester started to melt at about 121°C and started to decompose or react at about 300°C in the preliminary test. Thereby the colour of the liquid test substance changed from light yellowish to dark brown. Additional to this darkening, a formation of bubbles was observed started at about 360°C.
Three clear stages of melting were observed in the experiments of the main test. The melting process started at approximately 122.2°C (Stage A), a clearance of the melt (Stage B) was observed at 122.6 – 122.9 °C and the melting ended at 123.2°C (Stage E).
Data source
Reference
- Reference Type:
- other: calculation
- Title:
- Unnamed
- Year:
- 1 999
- Report date:
- 1999
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: calculation
- Principles of method if other than guideline:
- Modified Watson Correlation
- Type of method:
- other: calculation
Test material
- Reference substance name:
- 2-Ethoxy-4-{3-[(S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino]-2-oxo-propyl}-benzoic acid ethyl ester
- EC Number:
- 604-604-0
- Cas Number:
- 147770-06-7
- Molecular formula:
- C29 H40 N2 O4
- IUPAC Name:
- 2-Ethoxy-4-{3-[(S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino]-2-oxo-propyl}-benzoic acid ethyl ester
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: calculated
Transition / decomposition
- Transition / decomposition:
- yes
- Remarks:
- Decomposition at about 300°C
Applicant's summary and conclusion
- Conclusions:
- In conclusion, the vapour pressure of AGEE 623 Amidester was estimated to be < 2 x 10^-14 Pa at 25°C based on the boiling point calculated and using the Modified Watson Correlation. From this result, it can be concluded that the vapour pressure of AGEE 623 Amidester is too low to have any relevant effect on the environment.
- Executive summary:
The estimation of the vapour pressure of AGEE 623 Amidester was based on the EEC directive 92/69, Annex V, Part A, Methods for the determination of physico-chemical properties, A.4 “Vapour Pressure”, EEC Publication No. L383, December 1992; the OECD Guideline No. 104, “Vapour Pressure”, adopted July 27, 1995 and the Product Properties Test Guideline OPPTS 830.7950 of the United States Environment Protection Agency (EPA), August 1996.
The boiling point of AGEE 623 Amidester was calculated tob e 550°C using Meisner´s method. The vapour pressure of this component was calculated to be 2 x 10^-14 Pa.
During the determination of the melting point / melting range of AGEE 623 Amidester (see study on melting point, Report no. 4721180), a decomposition or reaction of AGEE 623 Amidester was observed which started at about 300°C. A formation of bubbles was observed in the liquid sample at about 360°C. This experimental result confirm, that the boiling point of AGEE 623 Amidester is greater than 360°C. Therefore, the vapour pressure of AGEE 623 Amidester was also calculated using 360°C as theoretical boiling point of AGEE 623 Amidester. The vapour pressure, calculated from this decomposition temperature of AGE 623 Amidester resulted in a value of < 8 x 10^-6.
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