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EC number: 204-129-5 | CAS number: 116-16-5
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- other: Unsuitable test system
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- yes
- Principles of method if other than guideline:
- only two strains (TA 98 and TA 100) have been used.
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 100
- Species / strain / cell type:
- S. typhimurium TA 98
- Metabolic activation:
- without
- Positive control substance:
- 2-nitrofluorene
- sodium azide
- Details on test system and experimental conditions:
- The experiments described here were performed on a sample of chlorination-stage effluent from a bleached kraft pulp mill in the interior of British
Columbia. This sample was subjected to a number of fractionation steps as described below and the mutagenic activity of each fraction assayed
using Salmonella typhimurium histidine-dependent strain TA100 without the addition of in vitro metabolic activation. Pure compounds identified in
this study were bioassayed subsequently with both strains TA98 and TA100. Characteristics and procedures for these strains, which previously gave the best responses to chlorination-stage effluents without metabolic activation, have been described.
The sample of effluent exhibited typical high mutagenicity predicted for chlorination-stage effluent and was toxic above 1.0 ml per plate. After
passage through an XAD-2 resin column most of the mutagenicity detected by strain TA100 was removed. Elution of the resin with ether followed by methanol and evaporation of the solvents resulted in a highly mutagenic ether eluate and a comparatively non-mutagenic methanol eluate.
The ether eluate, containing most of the mutagenicity detectable in strain TA100, was fractioned by adsorption chromatography on a silica-gel
column. Elution of this column with hexane : ether (1 :1) gave a fraction with relatively high mutagenicity in a weight basis.
The identity of this compound was suggested by strong peaks in the mass spectrum at m/e 83 and 85. Confirmation was obtained by comparison of the retention time of an authentic sample on a SP 2100 quartz capillary column and by the characteristic reaction with diazomethane which resulted
in a shift to a longer retention time.
To determine the relationship between the recovery of alkali-labile components and pH, samples of the original effluent were adjusted to various pH values. After 1h NaCl was added to 10% content and the samples extracted with ether, the extracts were concentrated and analyzed by capillary gas
chromatography on a SP 2100 column. Hexachloro-acetone was identified in extracts of the effluent at pH 2 by mixed injections with authentic
samples. Hexachloro-acetone was not observed in gas chromatograms of ether extract from effluent adjusted to pH 7 however tetrachloroacetone was still present.
The acetone produced strong dose-related mutagenic responses in Salmonella strains TA98 and TA100 without S9 addition when tested as pure
compounds at concentrations of less than 0.5 µl per plate. It is interesting to note that the degree of chlorine substitution appears to influence the mutagenic potency of chloroacetones, since the dose at which the maximum number of revertants/plate are observed increases as the number of
chlorine atoms increases.
The rapid disappearance of these chloroacetones from alkaline solutions is in agreement with the reported alkali-lability of the mutagenicity of chlorination stage effluent. This feature plus their strong direct-acting mutagenic effect suggests that these compounds are a major component of the
mutagenic activity of chlorinated-stage effluent. However, caution should be exercised in assuming that the mutagenic activity of an effluent mixture can be determined from the simple addition of the activities of the individual components comprising that mixture. Thus, the amount of chloro-
acetones present cannot actually be determined by comparing their mutagenic activities with that of the effluent. - Conclusions:
- Interpretation of results (migrated information):
positive
The hexachloroacetone produced strong dose-related mutagenic responses in Salmonella strains TA98 and TA100 without S9 addition when tested as pure compounds at concentrations of less than 0.5 µl per plate. It is interesting to note that the degree of chlorine substitution appears to
influence the mutagenic potency of chloroacetones, since the dose at which the maximum number of revertants/plate are observed increases as the number of chlorine atoms increases.
The rapid disappearance of these chloroacetones from alkaline solutions is in agreement with the reported alkali-lability of the mutagenicity of
chlorination stage effluent. This feature plus their strong direct-acting mutagenic effect suggests that these compounds are a major component of
the mutagenic activity of chlorinated-stage effluent. However, caution should be exercised in assuming that the mutagenic activity of an effluent
mixture can be determined from the simple addition of the activities of the individual components comprising that mixture. Thus, the amount of
chloroacetones present cannot actually be determined by comparing their mutagenic activities with that of the effluent. - Executive summary:
Certain effluents from pulp mills have been shown in the Salmonella/mammalian- microsome test and using a battery of microbial and mammalian in vitro assays to possess mutagenic activity. In these studies, first-chlorination-stage effluent from both bleached kraft and sulfite mills consistently showed high mutagenic activity where as, most other effluents and process streams showed no or reduced mutagenicity. These studies also revealed that, mutagenicity found in effluents could be detected without the addition of an in vitro metabolic activation system.
Reference
Results of the experiment to determine the stability of chloroacetones in alkali indicated they are very labile and could best be recovered by extraction at low pH. An approximation of the concentrations of hexachloroacetone was obtained by extracting 2 samples of chlorination-stage effluent and measuring the quantities by gas chromatography. Methyl heptadecanoate was used as an internal standard andconcentrations were calculated on the basis of peak areas corrected for response factors but not for recovery from aqueous acid solution.
Hexachloroacetone appears to be more labile.
Although chloroacetones have been identified in samples of chlorination-stage effluent, their presence in combined whole-mill effluent after it has undergone biotreatment has not yet been determined, and the extent to which chloroacetones reach the environment outside the mill is unknown.
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (positive)
Additional information
Justification for classification or non-classification
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