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Diss Factsheets
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EC number: 947-726-2 | CAS number: -
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar toxicological properties because
• they are manufactured from similar or identical precursors under similar conditions
• they share structural similarities with common functional groups: quaternary ammonium and saturated or unsaturated alkyl chains with comparable length (corresponding to scenario 2 of the read-across assessment framework)
The read-across hypothesis is based on structural similarity of target and source substances. Based on available experimental data, including key physicochemical properties and data from acute toxicity, irritation, sensitization (human) and genotoxicity studies, the read-across strategy is supported by a quite similar toxicological profile of all substances.
Therefore, read-across from the existing ecotoxicity, environmental fate and toxicity studies conducted with the source substances is considered as an appropriate adaptation to the standard information requirements of the REACH Regulation for the target substance, in accordance with the provisions of Annex XI, 1.5 of the REACH Regulation.
A justification for read-across is attached to IUCLID section 13.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See justification for read-across attached to IUCLID section 13.
3. ANALOGUE APPROACH JUSTIFICATION
See justification for read-across attached to IUCLID section 13.
4. DATA MATRIX
See justification for read-across attached to IUCLID section 13. - Reason / purpose for cross-reference:
- read-across: supporting information
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Remarks:
- Water from White river: pH 8.4-8.6, CaCO3 345-363 mgL, 3-5 mg/L susp. solids)
- Effect conc.:
- 1.55 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- act. ingr.
- Basis for effect:
- mortality
- Remarks on result:
- other: extrapolated based on differences in QSAR estimation
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Remarks:
- Laboratory water (pH 6.6-7.9, CaCO3 131-163 mg/L, no suspended solids)
- Effect conc.:
- 0.08 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- act. ingr.
- Basis for effect:
- mortality
- Remarks on result:
- other: extrapolated based on differences in QSAR estimation
- Conclusions:
- Acute toxicity to daphnids varied with the type of dilution water used in the toxicity tests. In laboratory dilution water, the 48-h LC50 values was 0.08 mg/L. However, in river water, acute toxicity was considerably less, with a 48-h EC50 of 1.55 mg/L.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EpiSuite v4.11, US EPA
2. MODEL (incl. version number)
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
average carbon chain length: 14.7
Quaternary Ammonium Surfactants, Mono-alkyl
Quaternary Ammonium Surfactants, Di-alkyl
Quaternary Ammonium Surfactants, Tri-alkyl
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: 48 h LC50 in daphnia
- Unambiguous algorithm:
The QSARs for cationic surfactants are linear and the toxicity potential is related to the size of the hydrophobic component (i.e., number of carbons is greater than C16, or less than C16). Cationic classes may include quaternary aliphatic amines, phosphoniums, quaternary ammoniums, sulfoniums, and other general cationic surfactants. The current QSARs are:
Class Organisms Endpoint Equations
SURFACTANTS, CATIONIC,SURFACTANTS, CATIONIC, SURFACTANTS, CATIONIC, >=C16 FISH 96 LC50 10^((0.023 * AVG_NUM_CARBONS) - 0.092)
SURFACTANTS, CATIONIC, >=C16 DAPHNID 48 LC50 10^((0.115 * AVG_NUM_CARBONS) - 1.64)
- Defined domain of applicability: organic chemicals, molecular weight <1000 g/mol; Quaternary Ammonium Surfactants, Mono-alkyl/Quaternary Ammonium Surfactants, Di-alkyl/Quaternary Ammonium Surfactants, Tri-alkyl
5. APPLICABILITY DOMAIN
- Descriptor domain: special classes: Quaternary Ammonium Surfactants, Mono-alkyl/Quaternary Ammonium Surfactants, Di-alkyl/Quaternary Ammonium Surfactants, Tri-alkyl
- the substance is a quaternary ammonium compound containing mono-, di- and tri-alkyl derivatives
- prediction is solely based on the average carbon chain length
6. ADEQUACY OF THE RESULT
The result is used as supporting information in a read-across approach. The result of this QSAR is in the same order of magnitude as the experimental data obtained with structurally related substances. Thus, the QSAR supports the read-across approach. - Principles of method if other than guideline:
- prediction of short term toxicity to Daphnia using EpiSuite v4.11, ECOSAR v1.11
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 1.442 mg/L
- Basis for effect:
- mortality
- Conclusions:
- The 48 h LC50 of Di-C12-18 alkyldimethyl ammonium chloride to Daphnia is predicted to be 1.442 mg/L (EpiSuite v4.11, ECOSAR v1.11).
Referenceopen allclose all
Description of key information
48 h EC50 = 1.55 mg/L (read across from DODMAC)
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 1.55 mg/L
Additional information
No experimental data are available for the target substance Di-C12-18 alkyldimethyl ammonium chloride. However, short-term toxicity studies inaquatic invertebrates are available for the closely related source substance DODMAC. A justification for read-across is attached to IUCLID section 13.
Acute toxicity to daphnids varied with the type of dilution water used in the toxicity tests. In laboratory dilution water, the 48-h LC50 values for DODMAC was 0.16 mg/L. However, in river water, acute toxicity was considerably less, with a 48-h EC50 of 3.1 mg/L.
To further support the read-across a QSAR estimation for both, the target and the source substance were included:
The 48 h LC50 of Di-C12-18 alkyldimethyl ammonium chloride to Daphnia is predicted to be 1.442 mg/L (EpiSuite v4.11, ECOSAR v1.11).
The 48 h LC50 of DODMAC to Daphnia is predicted to be 2.692 mg/L (EpiSuite v4.11, ECOSAR v1.11).
From the QSAR data it is deduced, that the target substance should be expected to be more toxic than the source substance DODMAC, and a factor of approx. 2 should be applied to the LC50 obtained with DODMAC. Thus, the 48 h EC50 of the target substance Di-C12-18 alkyldimethyl ammonium chloride is considered to be 1.55 mg/L.
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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