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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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 2017-12-11 to 2018-03-29
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
- Version / remarks:
- 2006
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- slow-stirring method
- Partition coefficient type:
- octanol-water
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
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.47
- Temp.:
- 25 °C
- pH:
- >= 8 - <= 9
- Remarks on result:
- other: +/- 0.01
- Details on results:
- Thermostated glass flasks containing the aqueous phase and n-octanol were slowly stirred, after dosing the test item dissolved in octanol, until equilibrium distribution of the test item between the two phases was achieved. The temperature was kept constant at 25 °C ± 1 °C. The concentration of the test item in the phases was measured by HPLC with MS/MS detection. The first sampling was performed after 113.5 hours stirring. The partition coefficient (noctanol/water) log Pow was calculated. For the first measurements, the equilibrium distribution was not achieved. After 113.5 hours stirring, the log Pow was found to be 5.09 and steadily decreased till 4.56 after 313 hours stirring. The equilibrium distribution was achieved, when four sampling intervals separated by at least 5 hours yielded similar log Pow values (after 409 hours stirring), expressed by a plateau with zero slope (see Table 6). The testing was performed in triplicate.
The following value for the log Pow was obtained: 4.47 ± 0.01
The pH of the water phase sample were measured and were all found to in the range of pH 8 to pH 9.
Any other information on results incl. tables
Slow-Stirring Test - Results Obtained for log PowVersus Stirring Time
Stirring Time |
Sample Name |
Measured Concentration in n-Octanol |
Measured Concentration in Water |
Log Pow |
Mean |
409 |
1 |
24152779 |
751 |
4.51 |
4.49 |
2 |
23897066 |
772 |
4.49 |
||
3 |
24460544 |
824 |
4.47 |
||
427 |
1 |
23778180 |
812 |
4.47 |
4.46 |
2 |
23532394 |
824 |
4.46 |
||
3 |
23999211 |
857 |
4.45 |
||
433 |
1 |
25106342 |
840 |
4.48 |
4.47 |
2 |
25332196 |
867 |
4.47 |
||
3 |
25227445 |
880 |
4.46 |
||
451 |
1 |
23818338 |
845 |
4.45 |
4.45 |
2 |
23527758 |
805 |
4.47 |
||
3 |
23643908 |
872 |
4.43 |
The tabulated values of the samples represent rounded results obtained by calculation using the exact data.
Results obtained for log PowAverage Value
Experimental |
Stirring Time |
Log Pow |
Log Pow ,i |
Statistical Weight of Uniti |
Log Pow ,Av |
Unit 1 |
409 |
4.51 |
4.47 |
1.07 E-06 |
4.47 |
427 |
4.47 |
||||
433 |
4.48 |
||||
451 |
4.45 |
||||
Unit 2 |
409 |
4.49 |
4.47 |
4.18 E-07 |
|
427 |
4.46 |
||||
433 |
4.47 |
||||
451 |
4.47 |
||||
Unit 3 |
409 |
4.47 |
4.45 |
5.24 E-07 |
|
427 |
4.45 |
||||
433 |
4.46 |
||||
451 |
4.43 |
The tabulated values of the samples represent rounded results obtained by calculation using the exact data.
Calculation of Mass Balancefor the First Experimental Unit
|
n-Octanol |
Water |
||||
Stirring Time [hours] |
Measured Concentration [µg/L] |
Sample Volume |
Amount Test Item |
Measured Concentration [µg/L] |
Sample Volume ** [ml] |
Amount Test Item [µg] |
113.5 |
24200763 |
0.1 |
2420 |
196 |
12.5 |
2.45 |
119.5 |
25600658 |
0.1 |
2560 |
251 |
12.9 |
3.22 |
138.5 |
25146934 |
0.1 |
2515 |
284 |
13.0 |
3.70 |
144.5 |
25600080 |
0.1 |
2560 |
321 |
9.66 |
3.10 |
162.5 |
24265064 |
0.1 |
2427 |
402 |
11.7 |
4.70 |
168 |
25101467 |
0.1 |
2510 |
410 |
11.1 |
4.53 |
283 |
28693855 |
0.1 |
2869 |
649 |
12.6 |
3.79 |
289 |
27233100 |
0.1 |
2723 |
676 |
9.53 |
3.74 |
307 |
28511180 |
0.1 |
2851 |
703 |
8.11 |
4.41 |
313 |
27367971 |
0.1 |
2737 |
758 |
10.9 |
3.17 |
409 |
24152779 |
0.1 |
2415 |
751 |
9.37 |
4.62 |
427 |
23778180 |
0.1 |
2378 |
812 |
11.0 |
5.63 |
433 |
25106342 |
0.1 |
2511 |
840 |
10.3 |
4.82 |
451 |
23818338 |
0.1 |
2382 |
845 |
10.7 |
6.55 |
457a |
24054715 |
0.1 |
2405 |
897 |
11.5 |
7.81 |
|
|
+ 48.5* |
+ 1166654* |
|
+ 625* |
+ 561* |
|
Measured total amount |
1204917 |
Measured total amount |
655 |
The tabulated values of the samples represent rounded results obtained by calculation using the exact data.
* amounts remaining in test vessel after last sampling
** including dead volume in the sampling pipe
a: the log Powdetermined for this stirring time was not used for the calculation of the average log Pow. The equilibrium was achieved for the 4 previous measurements and still stable till 457 hours stirring (slope not significantly different from 0).
Mass Balance for Determination of Log Pow
Test |
Measured Total Amount in n-Octanol |
Measured Total Amount in Water |
Measured Total amount both phases [µg] |
Added total amount |
Recovery |
||||||
1 |
1204917 |
655 |
1205572 |
1282050 |
94 |
||||||
2 |
1261170 |
630 |
1261801 |
1282050 |
98 |
||||||
3 |
1261395 |
677 |
1262072 |
1282050 |
98 |
The tabulated values of the samples represent rounded results obtained by calculation using the exact data.
Applicant's summary and conclusion
- Conclusions:
- During this study, the partition coefficient (n-octanol/water) log Pow of the test item TRI-N-HEXYLAMINE was determined using the slow-stirring method.
The following value for the log Pow was obtained: 4.47 ± 0.01 at 25°C - Executive summary:
During this study the partition coefficient (n-octanol/water) log Pow of the test item TRI-N-HEXYLAMINE was determined using the slow-stirring method (OECD 123) and following GLP. The slow-stirring method was used, because the shake flask method (OECD guideline no. 107, applicable for logPow values between -2 and 4) cannot be applied. The log Pow value was estimated to be 7.41 (KOWIN v1.67). The slow-stirring method is applicable for highly hydrophobic compounds with a log Pow value of up to 8. Due to the process of slowly stirring, the formation of n-octanol microdroplets in water is avoided, eliminating the risk of an apparently enhanced concentration of the test item in water and thus an underestimation of the log Pow value.
Thermostated glass flasks containing the aqueous phase and n-octanol were slowly stirred, after dosing the test item dissolved in n-octanol, until equilibrium distribution of the test item between the two phases was achieved. The temperature was kept constant (± 1 °C) at 25 °C. The concentration of the test item in the phases was measured by HPLC-MS/MS. From the measured concentrations, the partition coefficient (n-octanol/water) was calculated. The equilibrium distribution was achieved after 409 hours stirring, when four sampling intervals yielded similar log Pow values (plateau with zero slope).
The following value for the log Pow was obtained: 4.47 ± 0.01.
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