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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 950-112-7 | CAS number: 347377-00-8
- 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
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- GLP compliance:
- no
- Type of method:
- capillary method
- Melting / freezing pt.:
- 81.4 - 84.8 °C
- Decomposition:
- no
- Sublimation:
- no
- Remarks on result:
- other: no information of pressure available, standard assumed
- Conclusions:
- Under the conditions of this test, the substance was found to have a melting point of 81.4 - 84.4 °C. The study was performed similar to OECD 102 (no GLP) on the substance to be registered itself, the test procedure is well documented and therefore reliability of Klimisch 2 has been assigned.
- Executive summary:
Melting point of TMPTS is measured with an automated melting point apparatus, EZ-Melt supplied from Stanford Research Systems (Serial #97608). The EZ-Melt relies on the capillary method supported by virtually all pharmacopeia procedures for melting point determinations.
The temperature is ramped up from 70°C to 90°C at 1°C/min. The melting point value for freshly synthesized TMPTS was 81.4-84.8°C. Note the specification of melting point for TMPTS is 76 – 85°C.
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- GLP compliance:
- no
- Type of method:
- differential thermal analysis
- Decomposition:
- yes
- Decomp. temp.:
- >= 354 °C
- Remarks on result:
- other: substance started decomposition at 354°C and had more than 90% weight loss before 580°C
- Conclusions:
- Under the conditions of this test, the substance started decomposition before boiling at 354 °C. Boiling point value is estimated to be 531.8±30.0 °C at 760 torr (source: SciFinder, calculated using Advanced Chemistry Development ACD/Labs Software V11.02). The study was performed similar to OECD 103 (no GLP) on the substance to be registered itself, the test procedure is well documented and therefore reliability of Klimisch 2 has been assigned.
- Executive summary:
Boiling point value is estimated to be 531.8±30.0 °C at 760 torr (source: SciFinder, calculated using Advanced Chemistry Development ACD/Labs Software V11.02). Due to low stability of TMPTS at higher temperatures, the boiling point of TMPTS at 760 torr was never collected. During thermogravimetric analysis, trimethylolpropane trisorbate started decomposition at 354°C and had more than 90% weight loss before 580°C when temperature was ramped up at 10°C/min.
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 5.14
- Remarks on result:
- other: no further information available, but standard conditions / room temperature assumed
- Conclusions:
- The logPow of the test material has been determined to be 5.14. The study was performed similar to OECD 117 (no GLP) on the substance to be registered itself, the test procedure is well documented and therefore reliability of Klimisch 2 has been assigned.
- Executive summary:
The partition coefficient of the test item was determined in a non GLP study similar to OECD 117. Using the HPLC method, The log Pow of the test item was determined to be 5.14.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Saturated solutions of TMPTS in water were prepared; then the TMPTS in the solutions was quantitatively analyzed with UPLC.
- GLP compliance:
- no
- Type of method:
- other: UPLC was used for measuring water solubility
Test material
- Reference substance name:
- 2,4-Hexadienoic acid, 1,1’-[2-ethyl-2-[[(1-oxo-2,4-hexadien-1-yl)oxy]methyl]-1,3-propanediyl] ester
- EC Number:
- 950-112-7
- Cas Number:
- 347377-00-8
- Molecular formula:
- C24H32O6
- IUPAC Name:
- 2,4-Hexadienoic acid, 1,1’-[2-ethyl-2-[[(1-oxo-2,4-hexadien-1-yl)oxy]methyl]-1,3-propanediyl] ester
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 3.6 µg/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: no further information available, but standard conditions / room temperature assumed
Applicant's summary and conclusion
- Conclusions:
- water solubility = 3.6 µg/L (insoluble; <0.1 mg/L)
The study (no GLP) was performed in accordance with national standard methods with acceptable restrictions on the substance to be registered itself, the test procedure is well documented and therefore reliability of Klimisch 2 has been assigned. - Executive summary:
The liquid chromatography was used for measuring water solubility in a non GLP study. Using the UPLC method, The water solubility of the test item was determined to be 3.6 µg/L at room temperature.
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.