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EC number: 931-745-8 | CAS number: 1335203-21-8
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Principles of method if other than guideline:
- not specified method, flow through test with bluegill sunfish
- Route of exposure:
- aqueous
- Test type:
- flow-through
- Key result
- Type:
- BCF
- Value:
- ca. 10.7 dimensionless
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The authors collected measured BCF (sources: AQUIRE, CITI, HSDB and EFDB), log Kow (sources: MEDCHEM 'star list', Sangster's LOGKOW DATABANK or sources referenced in the EFDB or KOWWIN estimates), and pKa values for ionizing substances (sources: SRC's PHYSPROP database, compilation of Perrin and Serjeant and Dempsey and reference handbooks such as Handbook of Organic Chemistry, the Handbook of Chemistry and Physics and other sources cited in the EFDB or calculated using pKalc 3.1 software or SPARC. The database of 694 compounds with recommended BCF values contained 84 compounds defined as ionic, including carboxylic acids, sulfonic acids, and quaternary ammonium compounds. Based on the correlation of measured log BCF values and log Kow, log BCF values were deduced. The results were used to develop the computer program BCFWIN. BCFBAF Program is an update and expansion of the previous BCFWIN Program that was part of the EPI Suite version 3.20. BCFBAF v3.01 was used to calculate the BCF values for the substance.
- GLP compliance:
- no
- Radiolabelling:
- no
- Test organisms (species):
- other: fish
- Route of exposure:
- aqueous
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Reference substance (positive control):
- not required
- Key result
- Type:
- BCF
- Value:
- 1
- Remarks on result:
- other: Arnot-Gobas calcula-tion method (upper trophic)
- Key result
- Type:
- BCF
- Value:
- 71
- Remarks on result:
- other: unit: L/kg wet-wt (regression-based calculation method)
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The calculation of BCFs via BCFWIN v2.15 for oleic-acid based IQAC, DMS quaternised yielded values in the range between 1 (Arnot-Gobas calculation method (upper trophic)) and 71 L/kg wet-wt (regression-based calculation method). Based on the calculated BCFs a low potential for bioaccumulation is to be expected for oleic-acid based IQAC, DMS quaternised.
- Executive summary:
The authors collected measured BCF (sources: AQUIRE, CITI, HSDB and EFDB), log Kow (sources: MEDCHEM 'star list', Sangster's LOGKOW DATABANK or sources referenced in the EFDB or KOWWIN estimates), and pKa values for ionizing substances (sources: SRC's PHYSPROP database, compilation of Perrin and Serjeant and Dempsey and reference handbooks such as Handbook of Organic Chemistry, the Handbook of Chemistry and Physics and other sources cited in the EFDB or calculated using pKalc 3.1 software or SPARC). The database of 694 compounds with recommended BCF values contained 84 compounds defined as ionic, including carboxylic acids, sulfonic acids, and quaternary ammonium compounds. Based on the correlation of measured log BCF values and log Kow, log BCF values were deduced. The results were used to develop the computer program BCFWIN. BCFBAF Program is an update and expansion of the previous BCFWIN Program that was part of the EPI Suite version 3.20. BCFBAF v3.01 was used to calculate the BCF values for oleic-acid based IQAC, DMS quaternised.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Study period:
- November 1978 - December 1978
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Justification for type of information:
- requested from ECHA final decision on substance evaluation
- Qualifier:
- according to guideline
- Version / remarks:
- Work was done according to Japanese law on new chemicals and the methods to test the biodegradability and bioaccumulation of chemical substances (status 1978)
- Principles of method if other than guideline:
- not specified method, flow through test with bluegill sunfish
- GLP compliance:
- no
- Specific details on test material used for the study:
- Chemical name: Imidazolium compounds, 4,5-dihydro-2-(hydrogenated nortallow alkyl)-1-[2-(hydrogenated tallow amido)ethyl]-1-methyl, Me sulfates
Source, batch no.: Ashland Chemical Radio Synthesis Laboratory: 3275.115
Code: K0073.01
Label position: Methyl
Specific activity: 2.05 mCi/g
Radiochemical purity: 90.8%
Chemical purity: 92.9%
NMR/IR Spectrum identical to commercial Varisoft 445 - Radiolabelling:
- yes
- Details on sampling:
- Triplicate 5.0 ml water samples were collected from the treatment aquarium in accordance to the protocol, i.e., days 1 and 2 of equilibration and days 0 (0, 1, 6 and 12 hour),1, 2 and 5 of exposure. Triplicate 5.0 ml control water samples were collected at the beginning and end of testing. Four bluegill were collected from the treatment aquarium in accordance to the protocol. Four bluegill were collected from the control aquarium at the beginning and end of the study to quantitate background radiation in the fish.
- Vehicle:
- no
- Details on preparation of test solutions, spiked fish food or sediment:
- nominal exposure concentration: 10 µg/lPREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances)
- Method: flow-through system
- Controls: well water
- Evidence of undissolved material (e.g. precipitate, surface film, etc): no - Test organisms (species):
- Lepomis macrochirus
- Details on test organisms:
- Length:5.1+- 0.5 cm
Wet Weight: 1.5 +-0.5 g
Source:
TEST ORGANISM
- Common name: Bluegill
- Strain: Lepomis macrochirus
- Source: Commercial Hatchery
- Length at study initiation (length definition, mean, range and SD): 5.1+- 0.5 cm
- Weight at study initiation (mean and range, SD): 1.5 +-0.5 g - Route of exposure:
- aqueous
- Test type:
- flow-through
- Water / sediment media type:
- other: well water
- Total exposure / uptake duration:
- 5 d
- Total depuration duration:
- 14 d
- Hardness:
- week1: 26.0 mg/L CaCO3
week 2: 27.0 mg/L CaCO3
week 3: 27.0 mg/L CaCO3 - Test temperature:
- 18.5-20 °C
- pH:
- control: 7.0-7.45
treatment: 6.6-7.35 - Dissolved oxygen:
- control: 8.0-9.4 mg/L
treatment: 6.5-10.6 mg/L - TOC:
- no data
- Salinity:
- no data
- Conductivity:
- no data
- Details on test conditions:
- Well water was delivered to the aquaria by a modified, intermittent flow, proportional diluter. A chemical introduction system, comprised of an injector mechanism and a 50 ml gas-tight glass syringe was positioned over the treatment aquarium such that with each cycling of the diluter, the calibrated volume of stock (53 µl) was thoroughly mixed with 1 liter of well water, resulting in a nominal concentration of 0.01 mg/L 14C-K0073.01.
Test chambers of 50 l, glass aquaria were used.
The control aquarium received only well water with each cycling of the diluter. - Nominal and measured concentrations:
- nominal concentration: 0.01 mg/L
measured 14C-residue concentration: 8.8 +-0.7 µg/L K0073.01 - Reference substance (positive control):
- no
- Key result
- Type:
- BCF
- Value:
- ca. 10.9 dimensionless
- Key result
- Elimination:
- yes
- Parameter:
- DT50
- Depuration time (DT):
- 51 h
- Key result
- Rate constant:
- other: uptake rate constant (ppb/ppb/hr)
- Value:
- 0.147
- Key result
- Rate constant:
- other: elimination rate constant (hr-1)
- Value:
- 0.013
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Calculated uptake and elimination rate constants were 0.1474 +- 0.262 and 0.0135 +- 0.0028 respectively. The equilibrium, whole body BCF was predicted to be 10.9 +- 3.0. The T1/2 for clearance of the accumulated 14C compound was 51 hours. The test item should exhibit a low bioconcentration potential in a long term plateau exposure and, therefore, residual concentrations of Varisoft 445 in the aquatic environment would not be expected to result in any significant bioconcentration of Varisoft in receiving water biota.
- Executive summary:
Bluegill were exposed in a flow-through system to 8.8 µg/L K0073.001 and periodically sampled for 120 hours. Remaining fish were then transferred to test item-free water and sampled over a 14 -day period to define the elimination curve. Analysis of test water quality and measurements of the exposure concentration were conducted. Analysis of test fish and all computer calculations were done at Procter & Gamble. It was assumed that all detected radioactivity was the test item. Calculated uptake and elimination rate constants were 0.1474 ppb/ppb/hr and 0.0135 hr-1, respectively. The equilibrium, whole body bioconcentration factor was predicted to be 10.9. The time to reach 90% of steady state was calculated to be 170 hours, the clearance T1/2 was 51 hours.
Referenceopen allclose all
Quotation from NICNAS-report (p. 9):
9.3.2. Bioaccumulation in aquatic species, preferably fish (Dynamic Corporation 1987, Connell DW 1989)
Analogue: The following data for Varisoft 475 is provided in a summarised form.
„The relatively high molecular weight and charged nature of the notified chemical indicate that it is unlikely to bioaccumulate (Connell DW 1989). It is noted that, for the analogue Varisoft 475, a bioconcentration factor of 10.7 is said to have been measured for bluegill sunfish, exposed to 8.8 g/L of the substance in a flow through system (Dynamic Corporation 1987), again no further details were provided).“
The authors collected measured BCF (sources: AQUIRE, CITI, HSDB and EFDB), log Kow (sources: MEDCHEM 'star list', Sangster's LOGKOW DATABANK or sources referenced in the EFDB or KOWWIN estimates), and pKa values for ionizing substances (sources: SRC's PHYSPROP database, compilation of Perrin and Serjeant and Dempsey and reference handbooks such as Handbook of Organic Chemistry, the Handbook of Chemistry and Physics and other sources cited in the EFDB or calculated using pKalc 3.1 software or SPARC). The database of 694 compounds with recommended BCF values contained 84 compounds defined as ionic, including carboxylic acids, sulfonic acids, and quaternary ammonium compounds. Based on the correlation of measured log BCF values and log Kow, log BCF values were deduced. The results were used to develop the computer program BCFWIN. BCFBAF Program is an update and expansion of the previous BCFWIN Program that was part of the EPI Suite version 3.20. BCFBAF v3.01 was used to calculate the BCF values for oleic-acid based IQAC, DMS quaternised.
Description of key information
The BCF of oleic-acid based IQAC, DMS quaternised is 10.7.
Key value for chemical safety assessment
- BCF (aquatic species):
- 10.7 dimensionless
Additional information
The calculation of BCFs via BCFBAF v3.01 for oleic-acid based IQAC, DMS quaternised yielded values in the range between 1 (Arnot-Gobas calculation method (upper trophic)) and 71 L/kg wet-wt (regression-based calculation method). Based on the calculated BCFs a low potential for bioaccumulation is to be expected for oleic-acid based IQAC, DMS quaternised. This is supported by the fast hydrolysis and inherent biodegradability of the substance and the results of three toxicokinetical studies with mammals (rats) indicating poor absorption (dermal and intestinally) and fast elimination. For the closely related structural homologue (partially unsaturated IQAC, DMS quaternised, CAS-No. 68122-86-1) a flow through study with bluegill sunfish indicated a low bioaccumulation potential (BCF = 10.7) of IQAC. It is expected, that both substances have the same BCF, as there is no significant difference in relevant phys.-chem. properties (for example equilibrium partitioning), as well as no relevant difference is expected for metabolism.
The publication of the Australian state authority for the registration of chemical substances NICNAS was used for the determination of the BCF, used for the chemical safety assessment (CSA). This was done because the published BCF is based on measured data (fish test) and therefore seems to be more reliable.
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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