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EC number: 263-158-1 | CAS number: 61790-67-8
- 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
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24 November 2015 to 6 September 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- Calculation metod
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- no
- Estimation method (if used):
- Consideration of the chemical structure and physical properties of the test material would lead to difficulties in determining a reliable half-life for the hydrolysis test. An actual value for the water solubility was not possible to ascertain, which is required for this test. In addition to this the test material is a mixture of compounds, including triethanolamine, which is volatile and under the test conditions could not be kept in solution due to its volatility. A test method for all the components was not available that would be required if the test was performed.
On this basis it was not technically feasible to perform the test. Based on this it was decided calculate hydrolysis values using the Estimation Program Interface EPI ver. 4.1.
Calculated Values
Calculated values for the hydrolysis were determined for each of the specified constituents of the test substance stated in information provided by the Sponsor.
The rate of hydrolysis was predicted using the Estimation Program Interface (EPI ver. 4.1) developed by the United States Environmental Protection Agency (US EPA) (US EPA 2012). EPI Suite is used in the US EPA Pollution Prevention framework for the review of pre-manufacturing notice chemicals under the Toxic Substance Control Act (TSCA) and for the evaluation of the potential for chemicals to have persistent, bioaccumulative and toxic properties. The programs within EPI Suite are able to predict physical chemical properties from chemical structure (in SMILES notation), chemical name or CAS number entries. The following program was used to calculate hydrolysis:
- HYDROWIN: Estimates aqueous hydrolysis rate constants and half-lives of a variety of chemical structure classes for which hydrolysis may be significant.
HYDROWIN™ estimates acid- and base-catalysed rate constants for esters, carbamates, epoxides, halomethanes, and certain alkyl halides. Therefore, if any of these functional groups are not present, HYDROWIN™ does not return an estimated hydrolysis constant.
Calculated values for the hydrolysis were determined for each of the specified constituents of the test substance stated in information provided by the Sponsor. - Transformation products:
- not measured
- pH:
- 8
- DT50:
- 70.837 d
- Type:
- not specified
- Remarks on result:
- other: Estimation
- pH:
- 7
- DT50:
- 5.818 yr
- Type:
- not specified
- Remarks on result:
- other: Estimated
- Details on results:
- The calculated hydrolysis values ranged from T1/2 = 70.837 days (at pH 8) for fatty acids, tallow, triester of triethanolamine to T1/2 = 5.818 years (at pH 7) for fatty acids, tallow, diester of triethanolamine and fatty acids, tallow, triester of triethanolamine.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).
- Executive summary:
The hydrolysis and the Effect of pH of the test material was investigated in a study which was performed under GLP conditions and in accordance with the standardised guideline OECD 111.
Due to the characteristics of the test substance, it was not possible to determine experimental values for hydrolysis. It was decided that estimated values would be calculated using appropriate software. The rate of hydrolysis was predicted using the Estimation Program Interface (EPI ver. 4.1) developed by the United States Environmental Protection Agency (US EPA) (US EPA 2012). EPI Suite is used in the US EPA Pollution Prevention framework for the review of pre-manufacturing notice chemicals under the Toxic Substance Control Act (TSCA) and for the evaluation of the potential for chemicals to have persistent, bioaccumulative and toxic properties. The programs within EPI Suite are able to predict physical chemical properties from chemical structure (in SMILES notation), chemical name or CAS number entries. The program used to calculate hydrolysis was HYDROWIN which estimates aqueous hydrolysis rate constants and half-lives of a variety of chemical structure classes for which hydrolysis may be significant.
The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).
Reference
Table 1. Calculated Values for Fatty Acids, Tallow, Monoester of Triethanolamine
Common name |
log Kow |
R = C14:0 |
T1/2 = 212.511 days (pH 8) T1/2=5.818 years (pH 7) |
R = C16:0 |
T1/2 = 212.511 days (pH 8) T1/2=5.818 years (pH 7) |
R = C16:1 |
T1/2 = 212.511 days (pH 8) T1/2=5.818 years (pH 7) |
R = C18:0 |
T1/2 = 212.511 days (pH 8) T1/2=5.818 years (pH 7) |
R = C18:1 |
T1/2 = 212.511 days (pH 8) T1/2=5.818 years (pH 7) |
R = C18:2 |
T1/2 = 212.511 days (pH 8) T1/2=5.818 years (pH 7) |
R = C18:3 |
T1/2 = 212.511 days (pH 8) T1/2=5.818 years (pH 7) |
R1= C14:0 R2 = C18:0 |
T1/2 = 106.256 days (pH =8) T1/2 = 2.909 years (pH = 7) |
R1 = C14:0 R2 = C18:3 |
T1/2 = 106.256 days (pH =8) T1/2 = 2.909 years (pH = 7) |
R1= C16:1 R2=C18:3 |
T1/2 = 106.256 days (pH =8) T1/2 = 2.909 years (pH = 7) |
R1 = C14:0 R2 = C16:0 R3 = C18:0 |
T1/2 = 70.837 days (pH8) T1/2=1.939 years (pH 7) |
R1 = C14:0 R2 = C16:1 R3 = C18:1 |
T1/2 = 70.837 days (pH8) T1/2=1.939 years (pH 7) |
R1 = C14:0 R2 = C16:1 R3 = C18:3 |
T1/2 = 70.837 days (pH8) T1/2=1.939 years (pH 7) |
Description of key information
The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).
Key value for chemical safety assessment
Additional information
The hydrolysis and the Effect of pH of the test material was investigated in a study which was performed under GLP conditions and in accordance with the standardised guideline OECD 111.
Due to the characteristics of the test substance, it was not possible to determine experimental values for hydrolysis. It was decided that estimated values would be calculated using appropriate software. The rate of hydrolysis was predicted using the Estimation Program Interface (EPI ver. 4.1) developed by the United States Environmental Protection Agency (US EPA) (US EPA 2012). EPI Suite is used in the US EPA Pollution Prevention framework for the review of pre-manufacturing notice chemicals under the Toxic Substance Control Act (TSCA) and for the evaluation of the potential for chemicals to have persistent, bioaccumulative and toxic properties. The programs within EPI Suite are able to predict physical chemical properties from chemical structure (in SMILES notation), chemical name or CAS number entries. The program used to calculate hydrolysis was HYDROWIN which estimates aqueous hydrolysis rate constants and half-lives of a variety of chemical structure classes for which hydrolysis may be significant.
The hydrolysis results ranged T1/2 = 70.837 days (at pH 8) to T1/2 = 5.818 years (at pH 7).
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