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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 285-080-7 | CAS number: 85029-55-6
- 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
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 06 November 2015 to 26 July 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Principles of method if other than guideline:
- Preliminary solubility work demonstrated that an emulsion was formed when TEPA C8-10 FA was stirred with water and could not be removed by filtration. This meant that the water solubility was impossible to determine by any of the methods laid down in OECD 105.
An alternative approach to calculate the water solubility was used to give an estimation of the water solubility of TEPA C8-10 FA. The water solubility values were estimated using Estimation Program Interface (EPI Suite™, Ver. 4.11) software developed by the United States Environmental Protection Agency.
The water solubility was calculated for all constituents of the test substance that were stated at 4% of composition or above.
The EPI Suite™, Ver. 4.11software uses two models to predict the water solubility:
WSKOW (v 1.42): this first predicts the partition coefficient, Kow, and then uses this value to estimate the water solubility. Any errors in the prediction of the Kow are carried through to the estimation of water solubility so this method is generally considered the less accurate one.
WATERNT (v 1.01): this uses a fragment method, it breaks the compound (in this case each constituent of the test substance) into different fragments. The solubility of the test substance is then calculated as the sum of the solubilities of the fragments. This method generally gives better predictions of water solubility. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Preliminary solubility work demonstrated that an emulsion was formed. This meant that the water solubility was impossible to determine by any of the methods laid down in OECD 105.
- Key result
- Water solubility:
- > 0.001 - < 278 750 mg/L
- Conclusions:
- In conclusion the water solubility of the components within the test substance was considered to range from negligible to very soluble
- Executive summary:
Preliminary solubility work demonstrated that an emulsion was formed when TEPA C8-10 FA was stirred with water and could not be removed by filtration. This meant that the water solubility was impossible to determine by any of the methods laid down in OECD 105. An alternative approach to calculate the water solubility was used to give an estimation of the water solubility of TEPA C8-10 FA. The water solubility values were estimated using Estimation Program Interface (EPISuite™, Ver. 4.11) software developed by the United States Environmental Protection Agency.
The water solubility was calculated for all constituents of the test substance that were stated at 4% of composition or above.
The EPISuite™, Ver. 4.11software uses two models to predict the water solubility:
WSKOW (v 1.42): this first predicts the partition coefficient, Kow, and then uses this value to estimate the water solubility. Any errors in the prediction of the Koware carried through to the estimation of water solubility so this method is generally considered the less accurate one.
WATERNT (v 1.01): this uses a fragment method, it breaks the compound (in this case each constituent of the test substance) into different fragments. The solubility of the test substance is then calculated as the sum of the solubilities of the fragments. This method generally gives better predictions of water solubility.
General classifications based on water solubility in EPISuite™, Ver. 4.11 are as follows:
Water solubility (mg/L)
Water solubility classification
> 10,000
Very soluble
> 1,000 - 10,000
Very soluble
> 1,000 - 10,000
Soluble
> 100 - 1,000
Moderate solubility
> 0.1 - 100
Slightly soluble
< 0.1
Negligible solubility
Due to these technical issues the water solubility was estimated using EPIWIN software. Several values were calculated for the water solubility based on the different constituents of the test substance.
The stated constituents of the test substance are:
C8FA-TEPA-C10FA (Imidazolines): Typical concentration 22%
C8FA-TEPA-C8FA (Imidazolines): Typical concentration 12%
C10FA-TEPA- C10FA (Imidazolines): Typical concentration 11%
C10FA-TEPA (Imidazoline): Typical concentration 5%
C8FA-TEPA-C10FA (Imidazoline/amide): Typical concentration 4%
C8FA-TEPA-C10FA (Imidazoline/Amide): Typical concentration 5%
C8FA-TEPA (Imidazoline): Typical concentration 6%
C10FA-TEPA (Imidazoline): Typical concentration 5%
C8FA-TEPA (Imidazoline): Typical concentration 4%
C10FA-TEPA-C10FA: Typical concentration 4%
Based on the WATERNT v 1.01 predicted water solubility values, which are generally considered the more reliable, the estimated water solubility values ranged from 0.0014739 mg/L for C10FA-TEPA-C10FA (Imidazolines), which gives a general classification of negligible solubility, to 278750 mg/L for C10FA-TEPA (Imidazoline), which gives a general classification of very soluble.
Reference
Description of key information
Study reference SN 321390 shows that the test substance produces emulsions when added to water which could not be removed by centrifugation or filtration. The water solubility was therefore determined on the individual components known in this UVCB using a calculation approach by software EPISUITE (ver. 4.11). This approach led to a wide range of results (0.0014739mg/L to 278750mg/L) which do not accurately describe the properties of the substance.
The study performed on FA TEPA (CAS: 68555 -22 -6) (a structural analogue) showed that this substance forms micelles in water and so the solubility was determined using the critical micelle concentration (CMC) which was 19.0mg/L (pH 7, 23°C). This study has been used as a surrogate as Aradur contains 54% of C18 FA.
Key value for chemical safety assessment
- Water solubility:
- 19 mg/L
- at the temperature of:
- 23 °C
Additional information
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.