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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 201-073-3 | CAS number: 77-98-5
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- The test was performed with substance analogue TMAH. The rationale for read-across is attached in IUCLID section 13.
- Reason / purpose for cross-reference:
- read-across source
- Type:
- Koc
- Value:
- 87.3 L/kg
- Temp.:
- 20 °C
- % Org. carbon:
- 1.87
- Remarks on result:
- other: KFoc in Speyer 2.2 soil, 1/n 0.84, r^2 0.9981, 10 datapoints
- Type:
- Koc
- Value:
- 585 L/kg
- Temp.:
- 20 °C
- % Org. carbon:
- 0.94
- Remarks on result:
- other: KFoc in Speyer 2.3 soil, 1/n 0.64, r^2 0.9988, 10 datapoints
- Type:
- Koc
- Value:
- 1 017 L/kg
- Temp.:
- 20 °C
- % Org. carbon:
- 1.64
- Remarks on result:
- other: KFoc in Speyer 6S soil, 1/n 0.77, r^2 0.9975, 10 datapoints
- Type:
- Koc
- Value:
- 563 L/kg
- Temp.:
- 20 °C
- Remarks on result:
- other: Mean KFoc, 1/n 0.75
- Concentration of test substance at end of adsorption equilibration period:
- Analysed concentration in the liquid phase after 48 h (adsorption kinetics):
Speyer 2.2 soil: 7.46 mg/L
Speyer 2.3 soil: 4.62 mg/L
Speyer 6S soil: 5.77 mg/L - Details on results (Batch equilibrium method):
- Determination of equilibrium time (adsorption kinetics):
The graphs show a rapid increase of the adsorption of TMAH pentahydrate to all the soils in the first 3 hours of contact time. After 24 hours contact time equilibration was reached. No TMAH pentahydrate was detected in the blank samples.
Determination of adsorption isotherms:
Adsorption isotherms could be described by the Freundlich equation. The fits of the Freundlich adsorption isotherms to the data are shown bellow in the field "any other information on results incl. tables". - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption behavior of TMAH pentahydrate was studied in three different soils, including a loamy sand (Speyer 2.2 soil; %oc 1.87), a sandy loam (Speyer 2.3 soil; %oc 0.94) and a clay soil (Speyer 6S soil; %oc 1.64).
The KFoc value of TMAH pentahydrate was 87 (1/n 0.84), 585 (1/n 0.64) and 1017 (1/n 0.77) in three different soils (mean KFoc 563, 1/n 0.75). This result is read across to TEAH. - Executive summary:
The adsorption behavior of TMAH pentahydrate was studied in three different soils, including a loamy sand (Speyer 2.2 soil; %oc 1.87), a sandy loam (Speyer 2.3 soil; %oc 0.94) and a clay soil (Speyer 6S soil; %oc 1.64).
Adsorption kinetics were determined at an initial TMAH pentahydrate concentration of approximately 10 mg/L. A rapid increase of the adsorption of TMAH pentahydrate to the soils in the first 3 hours contact time was observed for all three soils. The adsorption plateau was reached after 24 hours for all three soils.
Adsorption isotherms were determined over a TMAH pentahydrate concentration range of 0.25 – 25 mg/L and a contact time of 24 hours. TMAH pentahydrate adsorption isotherms could be described by the Freundlich equation.
The KFoc value of TMAH pentahydrate was 87 (1/n 0.84), 585 (1/n 0.64) and 1017 (1/n 0.77) in three different soils (mean KFoc 563, 1/n 0.75).
This result is read across to TEAH.
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 28 November 2012 - 8 February 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)
- Version / remarks:
- (2000)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- batch equilibrium method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- All adsorption experiments were carried out at 20 ± 2°C.
- Analytical monitoring:
- yes
- Details on sampling:
- After the various contact times (3, 6, 24 and 48 hours), the slurries were removed from the roller mixer and centrifuged for 5 minutes at 845 g and 20°C (the controls were not centrifuged). After centrifugation, a 2 mL aliquot of the supernatant was taken from each sample and stored at ≤ -15°C until analysis. Blanks were sampled after 48 hours only.
Determination of equilibrium time (adsorption kinetics):
- Initial concentration: approx. 10 mg/L
- Sampling interval: 3, 6, 24 and 48 h
Determination of adsorption isotherms:
- Concentrations: 0.25, 1, 2.5, 10 and 25 mg/L
- Sampling time: 24 h - Details on matrix:
- Three different soils, representative for agricultural soils in Europe and North America. Sieved (2 mm) air-dried soil samples were taken from storage in the lab. Storage was at ambient temperature and time between sampling and the start of the test did not exceed three years.
Soil 1:
Designation: Speyer 2.2 soil
- Classification: Loamy sand
- pH: 5.5
- Organic carbon (%): 1.87
- CEC (meq/100 g): 10
- Moisture: 1.19% (determined prior to start)
Soil 2:
Designation: Speyer 2.3 soil
- Classification: Sandy loam
- pH: 6.8
- Organic carbon (%): 0.94
- CEC (meq/100 g): 11
- Moisture: 2.04% (determined prior to start)
Soil 3:
Designation: Speyer 6S soil
- Classification: Clay
- pH: 7.1
- Organic carbon (%): 1.64
- CEC (meq/100 g): 24
- Moisture: 5.35% (determined prior to start) - Details on test conditions:
- TEST SYSTEM
- Type, size and further details on reaction vessel: 50 mL polypropylene containers
- Solution: 0.01 M CaCl2 solution (7.35 g calcium chloride dihydrate/5L Milli-Q water)
- Water: Milli-Q water (tap water purified by a Milli-Q water purification system (Millipore, USA))
- Amount of soil and water per treatment:
For Speyer 2.2 and Speyer 2.3 soil approx. 15 g plus 27 mL 0.01 M CaCl2 solution
For Speyer 6S soil approx. 4.5 g plus 40.5 mL 0.01 M CaCl2 solution
- Soil-solution ratio: 1:2 for Speyer 2.2 and Speyer 2.3 soil, and 1:10 for Speyer 6S soil
- Number of reaction vessels/concentration: 1 vial per sampling point (kinetics); 2 samples per soil and concentration (isotherms)
- Measuring equipment: HPLC-UV and pH meter
- Test performed in closed vessels in the dark on a roller mixer
- Method of preparation of test solution
Adsorption kinetics: A stock solution of 102.3 mg TMAC in 10 mL Milli-Q was prepared (10.2 g/L). The stock solution was diluted in 0.01 M CaCl2 solution to obtain a spike solution of 100 mg/L.
Adsorption isotherms: Two stock solutions of 33.8 mg and 308.4 mg TMAC in 25 mL Milli-Q water were prepared (1.35 g/L and 12.3 g/L , respectively). A series of spike solutions of 2.5, 10 and 25 mg/L were prepared by dilution of the 1.35 g/L solution in 0.01 M CaCl2 solution and spike solutions of 100 and 250 mg/L were prepared by dilution of the 12.6 g/L solution in 0.01 M CaCl2 solution.
PRELIMINARY EXPERIMENTS
The adsorption of TMAH pentahydrate on the surface of the glass and polypropylene vessels and the stability of the test substance in 0.01M CaCl2 solution were assessed by equilibrating a 10 mg/L solution in test vessels under identical experimental conditions (duplicate samples per vessel material per contact time).
Soil:solution ratios of approximately 1:2, 1:10 and 1:50 were investigated. The soil:0.01 M CaCl2 slurries were equilibrated overnight on a roller mixer prior to spiking with a 100 mg/L solution to obtain a final TMAH pentahydrate concentration in the test solutions of approximately 10 mg/L.
DETAILS EQUILIBRIUM TIME DETERMINATION (ADSORPTION KINETICS):
The slurries were equilibrated on a roller mixer overnight prior to spiking. The adsorption kinetics experiment was initiated by adding a weighed volume of approximately 3 ml (Speyer 2.2 and 2.3 soil) and 4.5 mL (Speyer 6S soil) of spike solution to the pre-equilibrated soil slurries to obtain the selected soil:solution ratio. A control without soil was included, as well as a blank sample of each soil (soil without test substance). The samples were placed on a roller mixer. The pH of the supernatants (48 h) was measured .
DETAILS ADSORPTION ISOTHERMS DETERMINATION:
The slurries were equilibrated for at least 16 h on a roller mixer prior to spiking. After equilibration, the samples were spiked with an appropriate amount of spike solution to obtain the desired test concentration. Controls without soil were included as well as a blank sample for each soil system using a known amount of 0.01 M CaCl2 solution and no test substance. At the end of the experiment the pH of the supernatants was determined after decanting (one replicate of each soil at the highest and lowest concentration level). - Sample No.:
- #1
- Duration:
- 48 h
- Initial conc. measured:
- 9.84 other: mg/L (Speyer 2.2 soil)
- pH:
- 5.5
- Sample No.:
- #2
- Duration:
- 48 h
- Initial conc. measured:
- 9.8 other: mg/L (Speyer 2.3 soil)
- pH:
- 6.8
- Sample No.:
- #3
- Duration:
- 48 h
- Initial conc. measured:
- 9.84 other: mg/L (Speyer 6S soil)
- pH:
- 7.1
- Computational methods:
- The Freundlich adsorption isotherm parameters (KF and 1/n) were calculated by fitting the data to the Freundlich isotherm. Organic carbon-normalised Freundlich adsorption coefficients (KF,oc) were also determined. KF = Freundlich adsorption coefficient (ml/g); n = regression constant.
- Type:
- Koc
- Value:
- 92 L/kg
- Temp.:
- 20 °C
- % Org. carbon:
- 1.87
- Remarks on result:
- other: KFoc in Speyer 2.2 soil, 1/n 0.82, r^2 0.982, 10 datapoints
- Type:
- Koc
- Value:
- 567 L/kg
- Temp.:
- 20 °C
- % Org. carbon:
- 0.94
- Remarks on result:
- other: KFoc in Speyer 2.3 soil, 1/n 0.64, r^2 0.991, 10 datapoints
- Type:
- Koc
- Value:
- 979 L/kg
- Temp.:
- 20 °C
- % Org. carbon:
- 1.64
- Remarks on result:
- other: KFoc in Speyer 6S soil, 1/n 0.78, r^2 0.99, 10 datapoints
- Type:
- Koc
- Value:
- 546 L/kg
- Temp.:
- 20 °C
- Remarks on result:
- other: Mean KFoc, 1/n 0.75
- Concentration of test substance at end of adsorption equilibration period:
- Analysed concentration in the liquid phase after 48 h (adsorption kinetics):
Speyer 2.2 soil: 6.99 mg/L
Speyer 2.3 soil: 4.36 mg/L
Speyer 6S soil: 5.42 mg/L - Details on results (Batch equilibrium method):
- Determination of equilibrium time (adsorption kinetics):
The graphs show a rapid increase of the adsorption of TMAC pentahydrate to all the soils in the first 3 hours of contact time. After 3 hours contact time equilibration was reached. No TMAC pentahydrate was detected in the blank samples.
Determination of adsorption isotherms:
Adsorption isotherms could be described by the Freundlich equation. The fits of the Freundlich adsorption isotherms to the data are shown bellow in the field "any other information on results incl. tables". - Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption behavior of TMAC was studied in three different soils, including a loamy sand (Speyer 2.2 soil; %oc 1.87), a sandy loam (Speyer 2.3 soil; %oc 0.94) and a clay soil (Speyer 6S soil; %oc 1.64). The adsorption behavior of TMAC was studied in three different soils, including a loamy sand (Speyer 2.2 soil; %oc 1.87), a sandy loam (Speyer 2.3 soil; %oc 0.94) and a clay soil (Speyer 6S soil; %oc 1.64). Adsorption isotherms were determined over a TMAC concentration range of 0.25 - 25 mg/L and a contact time of 24 hours. TMAC adsorption isotherms could be described by the Freundlich equation.
The KFoc value of TMAC was 92 (1/n 0.82), 567 (1/n 0.64) and 979 (1/n 0.78) in three different soils (mean KFoc 546, 1/n 0.75). This result is read across to TEAH. - Executive summary:
The adsorption behavior of TMAC was studied in three different soils, including a loamy sand (Speyer 2.2 soil; %oc 1.87), a sandy loam (Speyer 2.3 soil; %oc 0.94) and a clay soil (Speyer 6S soil; %oc 1.64).
Adsorption kinetics were determined at an initial TMAC concentration of approximately 10 mg/L. A rapid increase of the adsorption of TMAC to the soils in the first 3 hours contact time was observed for all three soils. The adsorption plateau was reached after 3 hours for all three soils.
Adsorption isotherms were determined over a TMAC concentration range of 0.25 - 25 mg/L and a contact time of 24 hours. TMAC adsorption isotherms could be described by the Freundlich equation.
The KFoc value of TMAC was 92 (1/n 0.82), 567 (1/n 0.64) and 979 (1/n 0.78) in three different soils (mean KFoc 546, 1/n 0.75). This result is read across to TEAH.
Referenceopen allclose all
The pH of the supernatants after 48 h (adsorption kinetics) was 5.6 for Speyer 2.2 soil and 7.0 for Speyer 2.3 and Speyer 6S soil.
At the end of the isotherm experiment, the pH was 5.6-5.7 for Speyer 2.2 soil, 7.0 for Speyer 2.3 and Speyer 6S soil.
Table: Koc and Kd values of TMAH pentahydrate determined during adsorption kinetics test at an initial nominal concentration of 10 mg/L
Type |
Value |
Temperature |
% Org. carbon |
Remarks |
Koc |
35 |
20 °C |
1.87 |
Speyer 2.2 (Loamy sand)-48 h |
Kd |
0.7 |
20 °C |
1.87 |
Speyer 2.2 (Loamy sand)-48 h |
Koc |
258 |
20 °C |
0.94 |
Speyer 2.3 (Sandy loam)-48 h |
Kd |
2.4 |
20 °C |
0.94 |
Speyer 2.3 (Sandy loam)-48 h |
Koc |
452 |
20 °C |
1.64 |
Speyer 6S (Clay)-48 h |
Kd |
7.4 |
20 °C |
1.64 |
Speyer 6S (Clay)-48 h |
The pH of the supernatants after 48 h (adsorption kinetics) was 5.6 for Speyer 2.2 soil and 7.0 for Speyer 2.3 and Speyer 6S soil.
At the end of the isotherm experiment, the pH was 5.6-6.0 for Speyer 2.2 soil, 7.0-7.1 for Speyer 2.3 and 6.9-7.1 for Speyer 6S soil.
Table: Koc and Kd values of TMAC determined during adsorption kinetics test at an initial nominal concentration of 10 mg/L
pe |
Value |
Temperature |
% Org. carbon |
Remarks |
Koc |
44 |
20 °C |
1.87 |
Speyer 2.2 (Loamy sand)-48 h |
Kd |
0.8 |
20 °C |
1.87 |
Speyer 2.2 (Loamy sand)-48 h |
Koc |
270 |
20 °C |
0.94 |
Speyer 2.3 (Sandy loam)-48 h |
Kd |
2.5 |
20 °C |
0.94 |
Speyer 2.3 (Sandy loam)-48 h |
Koc |
525 |
20 °C |
1.64 |
Speyer 6S (Clay)-48 h |
Kd |
8.6 |
20 °C |
1.64 |
Speyer 6S (Clay)-48 h |
Description of key information
The KFoc of read-across candidates TMAH pentahydrate and TMAC was determined in three different soils, in accordance with OECD guideline 106 and GLP (see read-across justification in IUCLID section 13)
The KFoc value of TMAH pentahydrate was 87 (1/n 0.84), 585 (1/n 0.64) and 1017 (1/n 0.77) in three different soils (mean KFoc 563, 1/n 0.75).
The KFoc value of TMAC was 92 (1/n 0.82), 567 (1/n 0.64) and 979 (1/n 0.78) in three different soils (mean KFoc 546, 1/n 0.75).
The mean KFoc value of TMAH and TMAC was 555 (1/n 0.75).
Key value for chemical safety assessment
- Koc at 20 °C:
- 555
Additional information
There are two relevant studies available for structural analogues TMAH pentahydrate and TMAC.
The mean KFoc value of TMAH and TMAC was 555 (1/n 0.75)
Brands (2013a,b) carried out OECD106 studies with TMAH pentahydrate and TMAC which can be regarded as representative for the tetramethylammonium cation. The mean KFoc values (for 3 tested soil types) were 563 and 546 for TMAH pentahydrate and TMAC, respectively. The fact that these values do not differ significantly indicates that the different anions (hydroxide and chloride) did not influence the adsorption. The results of both studies can be used for the calculation of a mean KFoc value in a weight of evidence approach.
Brands(2013a) (TMAH pentahydrate):
The adsorption behavior of TMAH pentahydrate was studied in three different soils, including a loamy sand (Speyer 2.2 soil; %oc 1.87), a sandy loam (Speyer 2.3 soil; %oc 0.94) and a clay soil (Speyer 6S soil; %oc 1.64).
Adsorption kinetics were determined at an initial TMAH pentahydrate concentration of approximately 10 mg/L. A rapid increase of the adsorption of TMAH pentahydrate to the soils in the first 3 hours contact time was observed for all three soils. The adsorption plateau was reached after 24 hours for all three soils.
Adsorption isotherms were determined over a TMAH pentahydrate concentration range of 0.25 – 25 mg/L and a contact time of 24 hours. TMAH pentahydrate adsorption isotherms could be described by the Freundlich equation. The KFoc value of TMAH pentahydrate was 87 (1/n 0.84), 585 (1/n 0.64) and 1017 (1/n 0.77) in three different soils (mean KFoc 563, 1/n 0.75).
Brands (2013b)(TMAC):
The adsorption behavior of TMAC was studied in three different soils, including a loamy sand (Speyer 2.2 soil; %oc 1.87), a sandy loam (Speyer 2.3 soil; %oc 0.94) and a clay soil (Speyer 6S soil; %oc 1.64).
Adsorption kinetics were determined at an initial TMAC concentration of approximately 10 mg/L. A rapid increase of the adsorption of TMAC to the soils in the first 3 hours contact time was observed for all three soils. The adsorption plateau was reached after 3 hours for all three soils.
Adsorption isotherms were determined over a TMAC concentration range of 0.25 - 25 mg/L and a contact time of 24 hours. TMAC adsorption isotherms could be described by the Freundlich equation.
The KFoc value of TMAC was 92 (1/n 0.82), 567 (1/n 0.64) and 979 (1/n 0.78) in three different soils (mean KFoc 546, 1/n 0.75).
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.