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EC number: 279-919-6 | CAS number: 82205-20-7
- 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)
Description of key information
Basic Red 18:1 Acetate is a surface-active substance with a low log Kow (0.3) and high water solubility. Therefore, measured adsorption coefficients at different, environmentally relevant pH values are required for the assessment of the adsorption potential of the substance.
During pre-tests conducted with the structural analogue Basic Red 18:1 Chloride, considerable technical difficulties were encountered. Measurement of the log Koc at pH 7 and 9 is not possible, but an approximation of the log Koc of 5.17 and 5.308 at pH 4 in soil and sewage sludge, respectively, can be provided by estimation.
Supporting information from an OECD 302 B (Zahn-Wellens Test) demonstrates rapid removal of the test substance from the test solution. A value of 63 % elimination within 3 h after start of the test indicates fast removal through adsorption of the test substance.
Based on the experimental results described above and considering the charged moieties within the compound, it can be concluded that Basic Red 18:1 Acetate has a high adsorption potential in soil and sewage sludge.
The predominant pH of surface waters
and sewage treatment plants is approximately 7 or sometimes even higher.
Soil pH values can vary considerably depending on soil type, spatial
(climate) and temporal distribution. Frequency maxima of forest soil and
arable land in Germany are in the range of pH 6-7 and 3.6-4.6
(Schwertmann & Fischer, 1982; cited in Scheffer & Schachtschabel, 2002).
Although determination of the Koc by the HPLC method at pH 7 and 9 was
not possible, the corresponding value of Basic Red 18:1 Acetate can be
expected to be significantly higher than the estimates for pH 4 (5.17
and 5.308 for soil and sewage sludge, respectively). In view of the HPLC
retention times log Koc values clearly above 6.0 can be anticipated. For
modelling distribution in the environment, a high log Koc is truncated
at a value of 6.0 by the program EUSES. Therefore, a log Koc of 6 will
be used as basis for exposure estimation by means of Chesar/EUSES in a
worst-case approach.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 000 000
Additional information
DESCRIPTION OF RELEVANT SUBSTANCE
PROPERTIES
Basic Red 18:1 Acetate is a solid substance which is however only
stable in solution in presence of significant concentrations of free
acetic acid. It is characterized by a water solubility of 132 (± 19) g/L
at 20 °C and pH 6 (OECD 105). The n-octanol/water partition coefficient
(log Kow), that was determined in accordance with OECD Guideline 107, is
0.3 at 23 °C and pH 7. Furthermore, Basic Red 18:1 Acetate is a
surface-active compound (surface tension < 60 mN/m at 20 °C).
(Reported physicochemical properties (water solubility, log Kow, and surface tension) were experimentally determined for Basic Red 18:1 Chloride and are used in the assessment of the structural analogue Basic Red 18:1 Acetate in a read-across approach.)
Based on the physicochemical
properties, a substance can be expected to have a low potential for
adsorption if the log Kow value is ≤ 3. However, this may not hold true
for substances with good water solubility in combination with a low
octanol-water partition coefficient, particularly ionic and/or surface-active
compounds. Such substances – like Basic Red 18:1 Acetate – do not
necessarily always have a low adsorption potential.
Basic Red 18:1 Acetate is an
ionic substance due to negatively and positively charged moieties within
the molecule. The basic chemical structure of the substance itself – the
acetate disregarded – is cationic. In accordance with the ECHA Guidance
R.7a, especially cationic substances tend to adsorb strongly. Therefore,
a measured adsorption coefficient is usually needed to verify any
pH-dependence of substance adsorption. Besides, as Basic Red 18:1
Acetate is a surface-active substance, the log Kow value is considered a
poor predictor of adsorption. Thus, measured adsorption coefficients at
different, environmentally relevant pH values are required.
OVERVIEW OF EXPERIMENTAL RESULTS
1. OECD Guideline
121 – estimation of the adsorption coefficient (Koc) by means of HPLC
(see Landsberg, Dr. C., 2016)
Due to the substance properties described in section 2,
a study in accordance with OECD Guideline 121 was commissioned to
further investigate the adsorption potential of the structural analogue
Basic Red 18:1 Chloride on soil and sewage sludge. These data are used
in a read-across approach in the assessment of Basic Red 18:1 Acetate.
Pre-tests with Basic Red 18:1
Chloride were conducted prior to a main study at pH 4, 7 and 9 in
buffered media as the test item is considered to be ionic (Landsberg,
2016). During these pre-tests, considerable technical difficulties were
encountered:
The retention time of the test
substance Basic Red 18:1 Chloride was much higher compared to those of
the reference compounds phenanthrene and 4,4'-DDT. 4,4'-DDT is the
reference compound given in the guideline with the highest log Koc value
for soil, while phenantrene is the reference compound with the highest
log Koc value for soil and sewage sludge. Thus, an estimation of the log
Koc value of the test substance Basic Red 18:1 Chloride would only be
possible by extrapolation, which provides significant inaccuracy for the
study endpoint.
The pH value had a strong
influence on the chromatographic behaviour of Basic Red 18:1 Chloride.
The retention time of the test substance increased with increasing pH
(which is equivalent to decreasing adsorption with increasing pH). At pH
7 and 9 the retention time of the test item was ca. 30 and 40 minutes,
respectively. Basic Red 18:1 Chloride considerably exceeded the
retention time of the reference substances phenanthrene (pH 7: 4.081
min, pH 9: 4.254 min) and 4,4’-DDT (pH 7: n.d., pH 9: 5.216 min) and was
thus outside of the validated range given by OECD 121. At pH 4, the
retention time of the test substance (6.356 min) was still above the
retention time of the reference compound phenanthrene (4.839 min).
However, to provide an approximation of the log Koc for the test item,
extrapolated values in soil and sewage sludge at pH 4 were calculated at
5.17 and 5.308, respectively. These values are also outside of the
validated range of OECD Guideline 121 (log Koc = 1.5–5.0).
Thus, OECD 121 is considered to not be suitable for the measurement of the log Koc of Basic Red 18:1 Chloride.
2. OECD Guideline 302B –
Zahn-Wellens Test (see Müller, 1994)
The inherent biodegradability of the structural analogue Basic Red
18:1 Chloride was investigated in accordance with OECD Guideline 302 B
(Zahn-Wellens Test) using non-adapted domestic sludge (Müller, 1994).
The initial test substance concentration was 100 mg DOC/L. Elimination
of the test substance was followed by measurement of DOC removal from
the test vessels. 63% elimination of DOC could be observed after 3 h.
After 7 days, 87% DOC had been removed.
Although no adsorption control
was included in the experiment, the high elimination within the first 3
h of the experiment indicates fast removal through adsorption of the
test substance. As the chloride and the acetate variant of Basic Red
18:1 both consist of the identical cationic moiety which is considered
to predominantly determine the fate and behaviour of the substance, the
same adsorptive behaviour can be assumed for both Basic Red 18:1
compounds.
(Q)SAR
In accordance with ECHA Guidance R.7 a, the log Koc of organic
substances can often be estimated from their octanol-water partition
coefficient (Kow), as well as from other properties such as aqueous
solubility. Such methods give useful indications on the
qualitative/quantitative adsorption coefficient of a substance.
Especially for substances that are difficult to test such estimated
values are essential.
However, in the case of the ionic
Basic Red 18:1 Acetate, the applicability of QSAR models is limited due
to the charged moieties within the compound. In addition, the substance
is a Quaternary Ammonium Compound (QAC). Adsorption of QACs mainly
occurs by an ion-exchange mechanism and depends on cation-exchange
capacity of the sorbent and a variety of other parameters (Boethling,
1994). The training set of the estimation program KOCWIN implemented in
EPI SuiteTM(US
EPA, 2017) for the calculation of the adsorption coefficient does not
include any QACs. Therefore, the Koc estimate is outside of the
programme's prediction domain.
REFERENCES
Boethling, R. S. 1994. Environmental aspects of cationic
surfactants. In J. Cross and E. J. Singer (ed.), Cationic Surfactants:
Analytical and Biological Evaluation, vol. 53. Marcel Dekker, Inc., New
York, USA.
Müller, G. (1994).
Bioabbaubarkeit von Farbstoffen. Testing Laboratory: Bayer AG, Institut
für Umweltanalyse und Bewertungen, Geb. W 15, 51368 Leverkusen, Germany.
Company owner: DyStar Colours Distribution GmbH. Report Date:
1994-11-08.
Landsberg, C. (2016). Basic Red
18.1 - Chloride Estimation of the Adsorption Coefficient (Koc) on Soil
and on Sewage Sludge using High Performance Liquid Chromatography (HPLC)
(Statement). Testing laboratory: Noack Laboratorien GmbH,
Käthe-Paulus-Straße 1, D-31157 Sarstedt, Germany. Study No. 160803DL /
CAH17176 (non-GLP). Company owner: DyStar Colours Distribution GmbH.
Report Date: 2016-12-06.
Scheffer & Schachtschabel
(2002). Lehrbuch der Bodenkunde. Spektrum Akademischer Verlag,
Heidelberg. ISBN: 3-8274-1324-9.
US EPA (2017). Estimation Programs
Interface Suite™ for Microsoft® Windows, v 4.11. United States
Environmental Protection Agency, Washington, DC, USA.
[LogKoc: 6.0]
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