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EC number: 204-527-9 | CAS number: 122-19-0
- 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 November 27, December 04, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 115 Surface tension
- Deviations:
- yes
- Remarks:
- The deviation has no negative impact on the outcome of the study
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.5 'surface tension'
- Deviations:
- yes
- Remarks:
- The deviation has no negative impact on the outcome of the study
- Principles of method if other than guideline:
- The Critical micelle formation concentration (CMC) is the concentration of a surfactant in a phase above which aggregates of tenside molecules, so called micelles start to form. The CMC is an important characteristic of surfactant. The CMC is determined by tensiometer by measuring the surface tension of a concentration series. With molecule disperse surfactants, the surface tension largely shows a linear negative dependency on the logarithm of the concentration over a large range. Above the CMC, the surface tension is largely dependent of the concentration and show plateau in graphical presentation. The CMC is determined as the intersection between the regression straight line of the linearly dependent region and the straight line passing through the plateau.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: by determining the surface tension of a range of aqueous sample solutions of differing concentration
- Specific details on test material used for the study:
- Identity: Benzyldimethyl(octadecyl)ammonium chloride
Batch no: 14217
Appearance: White to off white solid
Composition: Benzyldimethyl(octadecyl)ammonium chloride
Content: Cationic activity 97.6%
Expiry date: 06/2019
Storage conditions: Room temperature, in dark, in closed vessel - Key result
- Water solubility:
- 20.8 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- Remarks on result:
- other: CMC
- Conclusions:
- Under study conditions, the water solubility of the test substance, C18 ADBAC, was determined to be 121.95 mg/L at 20°C.
- Executive summary:
A study was conducted to determined the water solubility of the test substance, C18 ADBAC (active: 97.6%), based on critical micelle concentration (CMC), according to OECD Guideline 115 and EU Method A.5, in compliance with GLP. Due to the surface activity of the test substance, the CMC value was considered as a water soluibility equivalent in accordance with the ECHA R.7a Guidance. Under study conditions, the CMC of the test substance was determined to be 20.8 mg/L at 20 ± 0.1˚C (Wannenwetsch, 2017).
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- From November 13, 2017 to February 08, 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- non-GLP
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- other: OECD 115
- Version / remarks:
- 27 July 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A5
- Version / remarks:
- 30 May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- Below the CMC, a surfactant is considered to be thermodynamically soluble in the water; whereas above the CMC, the solubility of a surfactant in water has been exceeded and the excess surfactant aggregates to form micelles. These micelles have significantly less effect on the surface tension of a solution and are considered not to be in solution. Thus, the water solubility of a surfactant may be expressed in terms of the CMC.
- GLP compliance:
- no
- Remarks:
- The study was conducted in a facility which operates in accordance with Good Laboratory Practice principles; however no claim of GLP compliance was intended nor is made for this study
- Type of method:
- other: by determining the surface tension of a range of aqueous sample solutions of differing concentration
- Key result
- Water solubility:
- ca. 19.2 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- ca. 23 h
- Temp.:
- 20 °C
- Remarks on result:
- other: CMC determined
- Details on results:
- Please see below table.
- Conclusions:
- Under the study conditions, the the CMC or water solubility of the test substance was determined to be 19.2 mg/L at 20.0 ± 0.5°C.
- Executive summary:
A study was conducted to determined the water solubility of the test substance, C18 ADBAC (active: 89.5%), based on critical micelle concentration (CMC), according to OECD Guideline 115 and EU Method A.5, in compliance with GLP. Due to the surface activity of the test substance, the CMC value was considered as a water soluibility equivalent in accordance with the ECHA R.7a Guidance. Under study conditions, the CMC of the test substance was determined to be 19.2 mg/L at 20.0 ± 0.5°C (Envigo, 2018).
Referenceopen allclose all
Determination of the CMC of the test substance
Test substance concentration of the emulsion (mg/l) |
Surface tension (mN/m) |
Surface tension corrected for calibration: σ1 (mN/m) |
100.8 |
43.1 |
41.2 |
50.4 |
43.3 |
41.4 |
25.2 |
45.2 |
43.2 |
12.6 |
48.9 |
46.7 |
6.3 |
51.5 |
49.2 |
4.5 |
50.1 |
47.9 |
3.2 |
51.2 |
48.9 |
2.4 |
57.3 |
54.7 |
1.58 |
52.4 |
50.1 |
The readings and temperatures for the sample solutions are shown in the following table:
Table1:
Concentration (mg/L) |
Reading (mN/m) |
Temperature (°C) |
1.074 x 103 |
40.0 |
20.0 |
40.0 |
20.0 |
|
40.0 |
20.0 |
|
322.2 |
41.0 |
20.0 |
41.5 |
20.0 |
|
41.5 |
20.0 |
|
41.5 |
20.0 |
|
107.4 |
43.5 |
20.0 |
43.5 |
20.0 |
|
43.5 |
20.0 |
|
32.22 |
47.0 |
20.0 |
47.0 |
20.0 |
|
47.0 |
20.0 |
|
10.74 |
48.5 |
20.0 |
48.5 |
20.0 |
|
48.5 |
20.0 |
|
3.222 |
58.0 |
20.0 |
58.0 |
20.0 |
|
58.0 |
20.0 |
|
1.074 |
63.5 |
20.0 |
64.0 |
20.0 |
|
64.0 |
20.0 |
|
64.0 |
20.0 |
|
0.3222 |
71.0 |
20.0 |
71.0 |
20.0 |
|
71.0 |
20.0 |
|
0.1074 |
65.0 |
20.0 |
69.5 |
20.0 |
|
72.0 |
20.0 |
|
72.0 |
20.0 |
|
72.0 |
20.0 |
Mean surface tension values were based on the last three readings for a particular concentration which were considered to be constant.
Theconcentration (mg/L), log10[concentration (mg/L)] and mean surface tension values for the sample solutions are shown in the following table:
Table2
Concentration |
Log10Concentration |
Mean Surface Tension (mN/m) |
Solution pH |
1.074 x 103 |
3.031 |
40 |
5.29 |
322.2 |
2.508 |
41.5 |
5.38 |
107.4 |
2.031 |
43.5 |
5.20 |
32.22 |
1.508 |
47 |
5.21 |
10.74 |
1.031 |
48.5 |
5.42 |
3.222 |
0.508 |
58 |
5.61 |
1.074 |
0.031 |
64 |
5.73 |
0.3222 |
-0.492 |
71 |
5.82 |
0.1074 |
-0.969 |
72 |
5.93 |
The plot of log10[concentration (mg/L)] versus surface tension (mN/m) can be found under 'Attached background materials' :
In this graph, line 1(red) was generated from linear regression of 5 sample solution concentrations for which the surface tension was shown to be concentration dependent and line 2 (green) was generated from linear regression of 3 sample solution concentrations for which the surface tension was observed to be essentially independent of concentration.
The intersection of these two lines gave the critical micelle concentration and was calculated by solving the two equations:
Line 1 equation: y =-29.6x
+73.7
Line 2 equation: y =-1.49x +34.4
The sample solution at30.44 mg/L was not used in generating the two lines. At this concentration the surface tension appeared to be transitioning to Line 2 at a shallower gradient than Line 1.
The sample solution at1.015 mg/L was not used in generating the two lines. At this concentration the surface tension was only slightly affected and was approaching that of purified water.
The CMC was determined to be 19.2 mg/L.
Description of key information
The water solubility of the test substance was determined based on critical micelle concentration (a water solubility equivalent of surfactant), according to OECD Guideline 115 and EU Method A.5 (Wannenwetsch, 2018 and Envigo, 2018).
Key value for chemical safety assessment
- Water solubility:
- 20.8 mg/L
- at the temperature of:
- 20 °C
Additional information
Two studies were available with the test substance:
- Study 1: 20.8 mg/L at 20 ± 0.1˚C (Wannenwetsch, 2017)
- Study 2: 19.2 mg/L at 20.0 ± 0.5°C (Envigo, 2018)
As a conservative approach the higher CMC or water solubility value has been considered further for hazard/risk assessment. This is because a high value maximises exposure of all environmental compartments by minimising Henry’s law constant (volatilisation from water).
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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