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EC number: 231-609-1 | CAS number: 7651-02-7
- 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
Endpoint summary
Administrative data
Description of key information
Additional information
SPECIATION OF TERTIARY ALKYL AMINE GROUP IN THE REGISTRATION SUBSTANCE SAPDMA
In aqueous medium the unprotonated and the protonated amine are in equilibrium. The percentage of the unprotonated and the protonated amine is determined by the acid constant pKa and the given pH. In the table the percentages are given as function of pH and the pKa of 9.45 (ACD Software) for Primary alkyl amines.
pH | Percentage Protonated amine (N+) | Percentage Unprotonated amine (N) |
9 | 73.8% | 26.2% |
7 | 99.6% | 0.4% |
4 | >99.999% | <0.001% |
CONCLUSION:
Under environmental conditions it is not relevant if the unprotonated or the protonated amine will be introduced in an aquatic medium. The composition of the protonated and unprotonated amine is solely determined by the pKa and the given pH (see table above). Therefore aquatic test results from the unprotonated and protonated amine are equivalent.
CATIONIC SURFACTANT PROPERTIES
Cationic surfactants like the registration substance SAPDMA sorb strongly to negatively charged surfaces like glass or biota. In order to avoid sorption to the glass of the test vessel and on the test organism well characterized river was used as aquatic medium to allow reliable test results. In the following the acute and chronic ecotoxicity values in river water are given.
SUMMARY OF ACUTE AND CHRONIC ECOTOXICITY RESULTS OF THE REGISTRATION SUBSTANCE SAPDMA
Table 6.1 Acute and chronic ecotoxicity values for the registration substance SAPDMA
Test type | Guideline | Species | Endpoint | Value | Remark |
Acute Fish | OECD 203 | Danio rerio | LC50 (96h) | >0.1 -<1 mg/L | Tap water testLC0 0.1 mg/L |
Acute Daphnia | OECD 202 | Daphnia magna | EC50 (48h) | 0.38 mg/L | River water test |
Algae | OECD 201 | Desmodesmus sups. | ErC50 (72h) | 0.14 mg/L | River water test |
Sludge respir, inhib. | OECD 209 | Non-adapted sludge | NOEC (3h) | 100 mg/L | EC50 (3h) >100 -<1000 mg/L |
Chronic Fish | OECD 211 | Danio rerio | NOEC repro (9d) | 0.1 mg/L | River water test |
Chronic Daphnia | OECD 202 | Daphnia magna | NOEC repro (21d) | 0.2 mg/L | River water test |
Algae | OECD 201 | Desmodesmus sups. | ErC10 (72h) | 0.07 mg/L | River water test |
Algae is the most sensitive species. The PNEC freshwater and marine is derived from the ErC10 (72h) algae of 0.07 mg/L.
CHRONIC ECOTOXICTY PROFILE OF SAPDMA AND THE READ ACROSS SUBSTANCE C20/22 ATQ
Background
The registration substance SAPDMA is a cationic surfactant with the formula CH3(CH2)16CONH(CH2)3NH+(CH3)2 which is structurally closely related to the quat C20/22 ATQ (CAS No. 68607-24-9 already REACH registered) with e.g. the constituent C20 ATQ CH3(CH2)18N+(CH3)3. The registration substance and the constituent C20 ATQ have the same number of carbons, are both cationic surfactants and are strongly sorbing to solids due to ionic interactions and van der Waals forces. Both substances are also readily and ultimately biodegradable in an OECD 301B CO2 Evolution test. In addition the microbial metabolic pathway is the same for both substances as in the first step the alkyl chain is cleaved from the nitrogen forming the corresponding aldehyde and ammonium compound. The aldehyde is then oxidizied to the fatty acid which is subsequently degraded by beta oxidation (Kees van Ginkel, Handbook of Surfactants, Volume F, 1995).
Chronic ecotoxicity of the registration substance SAPDMA and the read-across substance C20/22 ATQ
In the following table the river water test results for SAPDMA and C20/22 ATQ are given.
SAPDMA | C20/22 ATQ | Ratio highest:lowest value | ||
Chronic fish OECD 212 River water test | NOEC repro (9d) | 0.1 mg/L | 0.24 mg/L | 2.4 |
Chronic daphnia OECD 211River water test | NOEC repro (21d) | 0.2 mg/L | 0.13 mg/L | 1.5 |
Algae OECD 201River water | ErC10 (72h) | 0.07 mg/L | 0.93 mg/L | 13.2 |
Algae OECD 201Reconstituted water | ErC10 (72h) | 0.2 mg/L | 0.93 mg/L(RW) | 4.7 |
The ecotoxicity ratios for Chronic fish and Chronic daphnia is 2.4 and 1.5 respectively. These ratios are well within the boundaries on variability / uncertainty accepted e.g. for reference substances. The ratio for ErC10 (72h) for SAPDMA and C20/22 ATQ is 12.9 and much higher than expected. But from the tertiary alkyl dimethylamines (see above) it is known that the algae ecotoxicity in river water is sometimes higher than in reconstituted water. When comparing the SAPDMA algae ErC10 (72h) in reconstituted water with the algae value for C20/22 ATQ river water the ratio for the endpoint drops from 12.9 to 4.5. The value 4.5 is well within the range for variability / uncertainty acceptable for algae test (3 standard deviations). The PNEC freshwater and marine for SAPDMA is derived from the ErC10 (72h) river water algae test of 0.07 mg/L whereas the PNEC freshwater and marine for C20/22 ATQ is derived from the NOEC repro (21d) daphnia of 0.13 mg/L. The ratio between these two NOEC is 0.13/0.07=1.9 and well acceptable with respect to uncertainty / variability of test results.
Conclusion:
Based on the chronic ecotoxicity profile for SAPDMA and C20/22 ATQ it is justified to conclude that the ecotoxicity data for the sediment and soil compartment available for C20/22 ATQ can be used in read-across to SAPDMA. This approach is supported when comparing the PNEC sediment and PNEC soil with the respective PNECs derived with the Equilibrium partitioning method (see IUCLID Chapter 6.2 & 6.3).
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