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EC number: - | 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From June 02, 2022 to July 19, 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- According to the OECD 105 guideline adapted with the OECD 123 guideline using the slow stirring method
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: slow stirring method
- Key result
- Water solubility:
- >= 6.8 - <= 162 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 4.69 - <= 5.47
- Water solubility:
- 162 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 4.69 - <= 5.47
- Remarks on result:
- other: Compound No. 2
- Water solubility:
- 158 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 4.69 - <= 5.47
- Remarks on result:
- other: Compound No. 3
- Water solubility:
- 10.1 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 4.69 - <= 5.47
- Remarks on result:
- other: Compound No. 4
- Water solubility:
- 162 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 4.69 - <= 5.47
- Remarks on result:
- other: Compound No. 5
- Water solubility:
- 6.8 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 4.69 - <= 5.47
- Remarks on result:
- other: Compound No. 7
- Conclusions:
- In conclusion, the water solubility of the test item “L-Leucine, reaction products with 1,4:3,6-dianhydro-D-glucitol, iso-Pr alc. and octanoyl chloride” was determined to be comprised between 6.8 mg/L and 162 mg/L.
- Executive summary:
The aim of this study was to determine experimentally the water solubility on the test item ” “L-Leucine, reaction products with 1,4:3,6-dianhydro-D-glucitol, iso-Pr alc. and octanoyl chloride” “ according to the OECD 105 guideline adapted with the OECD 123 guideline using the slow stirring method.
The study was carried out in accordance with the study plan No.21/1139F/a dated May 24, 2022.
There were three deviations and no amendment during this study.
The results of this study are summarized below:
Two independent experiments and blank vessel were carried out. Concentration of the test item was regularly measured by GC/FID (Gas chromatography with Flame Ionization Detector).
The table below presents the water solubility of compounds selected and representative of the test item:
Identification of compounds
Solubility in water (mg/L)
Compound No.2
162
Compound No.3
158
Compound No.4
10.1
Compound No.5
162
Compound No.7
6.8
In conclusion, the water solubility of the test item “L-Leucine, reaction products with 1,4:3,6-dianhydro-D-glucitol, iso-Pr alc. and octanoyl chloride” was determined to be comprised between 6.8 mg/L and 162 mg/L.
Reference
Compound 2 – RT 25.6 minutes
Assay 24 hours + 1 hour | Assay 24 hours + 2 hours | Assay 24 hours + 3 hours | Assay 24 hours + 4 hours | Assay 24 hours + 5 hours | Assay 24 hours + 6 hours | Mean (mg/L) | SD (mg/L) | |
Results Vessel No.01 | 148 | 162 | 172 | 174 | 153 | 142 | 159 | 13.0 |
Results Vessel No.02 | 168 | 173 | 173 | 169 | 150 | 152 | 164 | 10.4 |
Water solubility (mg/L) | 162 mg/L |
Compound 3 RT 25.8 minutes
Assay 24 hours + 1 hour | Assay 24 hours + 2 hours | Assay 24 hours + 3 hours | Assay 24 hours + 4 hours | Assay 24 hours + 5 hours | Assay 24 hours + 6 hours | Mean (mg/L) | SD (mg/L) | |
Results Vessel No.01 | 145 | 161 | 170 | 166 | 147 | 138 | 155 | 12.9 |
Results Vessel No.02 | 165 | 172 | 169 | 163 | 147 | 145 | 160 | 11.4 |
Water solubility (mg/L) | 158 mg/L |
Compound 4 - RT 32.8 minutes
Assay 24 hours + 1 hour | Assay 24 hours + 2 hours | Assay 24 hours + 3 hours | Assay 24 hours + 4 hours | Assay 24 hours + 5 hours | Assay 24 hours + 6 hours | Mean (mg/L) | SD (mg/L) | |
Results Vessel No.01 | 11.1 | 7.3 | 10.3 | 11.8 | 10.8 | 8.8 | 10.0 | 1.7 |
Results Vessel No.02 | 10.8 | 9.3 | 10.0 | 10.2 | 10.4 | 10.5 | 10.2 | 0.5 |
Water solubility (mg/L) | 10.1 |
Compound 5 - RT 33.6 minutes
Assay 24 hours + 1 hour | Assay 24 hours + 2 hours | Assay 24 hours + 3 hours | Assay 24 hours + 4 hours | Assay 24 hours + 5 hours | Assay 24 hours + 6 hours | Mean (mg/L) | SD (mg/L) | |
Results Vessel No.01 | 136 | 160 | 177 | 153 | 162 | 152 | 157 | 13.5 |
Results Vessel No.02 | 171 | 167 | 167 | 177 | 151 | 167 | 167 | 8.6 |
Water solubility (mg/L) | 162 |
Compound 7- RT 39.6 minutes
Assay 24 hours + 1 hour | Assay 24 hours + 2 hours | Assay 24 hours + 3 hours | Assay 24 hours + 4 hours | Assay 24 hours + 5 hours | Assay 24 hours + 6 hours | Mean (mg/L) | SD (mg/L) | |
Results Vessel No.01 | 9.5 | 6.7 | 6.0 | 7.1 | 6.4 | 4.5 | 6.7 | 1.6 |
Results Vessel No.02 | 11.1 | 7.5 | 6.1 | 6.0 | 5.1 | 5.4 | 6.9 | 2.2 |
Water solubility (mg/L) | 6.8 |
Description of key information
The water solubility of the test item “L-Leucine, reaction products with 1,4:3,6-dianhydro-D-glucitol, iso-Pr alc. and octanoyl chloride” was determined to be comprised between 6.8 mg/L and 162 mg/L at 20°C.
However, taking into account on the complexity of the structure of the UVCBs registered substance, in OECD 105 test, Isosorbide and octanoic acid have not been analytically monitored. But solubility data are available for these two compounds:
- Isosorbide: water solubility is equal to 4.97 mol/L in the EPA CompTox databased, this value is a predictive value by OPERA software (substance inside the global applicability domain, see attached documents). The molecular weight of isosorbide is 146.1412 g/mol, the water solubility in g/L is then equal to: 4.97 x 146.1412 = 726,32 g/L
- Ocyanoic acid: water solubility is equal to 5.26e-3 mol/L in the EPA CompTox databased, this value is a predictive value by OPERA software (substance inside the global applicability domain, see attached documents). The molecular weight of octanoic acid is 144.2114 g/mol, the water solubility in g/L is then equal to: 5.25e-3 x 144.2114 = 0.758 g/L
These data are also considered in the water solubility range of the registered substance, the range is then comprised between 6.8 mg/L and 726.32 g/L.
Key value for chemical safety assessment
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.
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