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EC number: 203-062-9 | CAS number: 102-86-3
- 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
- Study period:
- From 2017-11-14 to 2018-03-09
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- adopted 24 January 2014
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- Trihexylamine
- EC Number:
- 203-062-9
- EC Name:
- Trihexylamine
- Cas Number:
- 102-86-3
- Molecular formula:
- C18H39N
- IUPAC Name:
- trihexylamine
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 4.17 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 136 mg/L
- Incubation duration:
- 96 h
- Temp.:
- 20 °C
- pH:
- 7.5
- Remarks on result:
- other: ± 0.24 mg/L
- Details on results:
- After a stirring time of 24 hours, 48 hours and 72 hours at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were taken through a tap at the bottom of the flask, checked for Tyndall effect, diluted and analyzed by HPLC with MS/MS detection. The result found after an incubation time of 72 hours exceeded by more than 15 % (129 %) the result found after an incubation time of 48 hours. To verify whether the saturation was achieved,
the test was prolonged for another 48 hours at 30 °C followed by 24 hours equilibration time at 20 °C giving a total stirring time of 72 hours, 96 hours and 120 hours. There was no Tyndall effect observed in the test samples.
According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. After 120 hours in comparison to 96 hours, 10 % increase of the test item concentration was observed. The acceptance criterium was therefore fulfilled, the saturation was achieved after 96 hours. The study is therefore valid. The first measurement of the 72 hours is unexpectedly high in comparison to the previous and following measurements and can be considered as an outlier, probably due to microdroplets even if no Tyndall effect was observed.
Any other information on results incl. tables
Table 1 Data of the Performance of the Water Solubility Test
Sample No. |
1 |
4 |
2 |
5 |
3 |
6 |
Weighed amount of test item [mg] |
111.88 |
114.03 |
105.72 |
|||
Volume of water [mL] |
840 |
840 |
840 |
|||
Loading Rate [mg/L] |
133 |
136 |
126 |
|||
Agitation time at 30°C [hours] |
24 |
72 |
48 |
96 |
72 |
120 |
Equilibration time at 20°C [hours] |
24 |
24 |
24 |
24 |
24 |
24 |
pH value of test item solution |
6.91 |
7.70 |
7.08 |
7.53 |
6.68 |
7.47 |
The tabulated values of the samples represent rounded results obtained by calculation using the exact data.
Table 2 Results of the Water Solubility of TRI-N-HEXYLAMINE
Sample No. |
Stirring Time at 30°C |
Measured Concentration |
Sample Preparation Factor |
Concentration of Test Item Determined |
pH |
Water Solubility Mean Value |
Difference with Sample |
Overall Mean ± Std. Dev. |
6 |
120 |
43.4 |
101 |
4379 |
7.44 |
4.38 |
+10 |
4.17 |
43.3 |
101 |
4373 |
7.50 |
|||||
5 |
96 |
39.6 |
101 |
3998 |
7.59 |
3.97 |
+39 |
|
38.9 |
101 |
3934 |
7.47 |
|||||
4* |
72 |
28.2 |
101 |
2845 |
7.74 |
2.86 |
-0.1 |
|
28.5 |
101 |
2880 |
7.65 |
|||||
3** |
72 |
74.6 |
101 |
7530 |
6.78 |
6.96 |
+129 |
|
63.4 |
101 |
6398 |
6.58 |
|||||
2* |
48 |
30.0 |
101 |
3031 |
7.06 |
3.04 |
+64 |
|
30.1 |
101 |
3041 |
7.11 |
|||||
1* |
24 |
18.1 |
101 |
1832 |
6.87 |
1.85 |
- |
|
18.5 |
101 |
1864 |
6.95 |
The tabulated values of the samples represent rounded results obtained by calculation using the exact data.
* Was not used for the calculation of overall mean, as the saturation was achieved after 96 hours.
** Was not used for the calculation of overall mean, considered as an outlier, probably due to microdroplets
Applicant's summary and conclusion
- Conclusions:
- During this study, the water solubility of TRI-N-HEXYLAMINE was determined at 20 °C using OECD Guideline for the Testing of Chemicals, No. 105 adapted to a slow stirring design. The water solubility was found to be 4.17 mg/L ± 0.24 mg/L at a pH of 7.5.
- Executive summary:
During this study the water solubility of TRI-N-HEXYLAMINE was determined based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility, modified to a slow-stirring test design, and following GLP.
For each time point, the test vessel was filled with 840 mL water. A defined amount of the test item (about 110 mg) was applied on the water surface of each of three glass vessels. The vessels were fitted with glass stoppers. The flasks were kept at about 30 °C via water surrounding circulation and stirred slowly (less than 100 rpm) to avoid formation of an emulsion.
The vessels were incubated for 24 hours, 48 hours and 72 hours, respectively. After that incubation period, the temperature was reduced to 20 °C and the samples were re-equilibrated for 24 hours without stirring. The concentration of the test item in the aqueous solution was determined by HPLC with MS/MS detection. Since the saturation of the water could not be demonstrated after 72 hours, the study was prolonged. The same vessels were further incubated at 30 °C for another 48 hours giving final stirring times at 30 °C of 72 hours, 96 hours and 120 hours. After that additional incubation period, the temperature was reduced to 20 °C and the samples were re-equilibrated for 24 hours without stirring. The concentration of the test item was determined in the aqueous solution by HPLC with MS/MS detection.
According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. After 120 hours in comparison to 96 hours, 10 % increase of the test item concentration was observed. The acceptance criterium was therefore fulfilled, the saturation was achieved after 96 hours. The study is therefore valid.
The water solubility of TRI-N-HEXYLAMINE at 20 °C was found to be 4.17 ± 0.24 mg/L at a mean pH of 7.5.
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