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EC number: 279-349-8 | CAS number: 79916-07-7
- 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
Toxicity to microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to microorganisms
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 3,7-bis(diethylamino)phenoxazin-5-ium acetate
- Molecular formula: C22H29N3O3
- Molecular weight: 383.489 g/mol
- Smiles notation: c1c2nc3ccc(cc3[o+]c2cc(N(CC)CC)c1)N(CC)CC.C(C)(=O)[O-]
- InChl: 1S/C20H26N3O.C2H4O2/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-2(3)4/h9-14H,5-8H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Tetrahymena pyriformis
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- Standard duration : 2 days
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 51.967 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Growth
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The inhibitory growth concentration (IGC50) value for 3,7-bis(diethylamino)phenoxazin-5-ium acetate on Tetrahymena pyriformis in a 48 hour study was estimated to be 51.96 mg/L on the basis of effects on growth.
- Executive summary:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity to microorganisms was predicted for target substance 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS no. 79916 -07 -7). IGC50 value was estimated to be 51.96 mg/l for Tetrahymena pyriformis for 48 h duration.
Reference
The
prediction was based on dataset comprised from the following
descriptors: IGC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" )
and ("c"
and (
not "d")
)
)
and "e" )
and ("f"
and "g" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Peroxy Acids by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Michael Addition OR Michael
Addition >> alpha,beta-Unsaturated carbonyl compounds OR Michael
Addition >> alpha,beta-Unsaturated carbonyl compounds >>
alpha,beta-Aldehydes OR Schiff base formation OR Schiff base formation
>> Schiff base formation with carbonyl compounds OR Schiff base
formation >> Schiff base formation with carbonyl compounds >> Aldehydes
by Protein binding by OASIS v1.3
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.17
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.12
Description of key information
Using the OECD QSAR toolbox version 3.3 (2017) with log kow as the primary descriptor and considering the five closest read across substances, toxicity to microorganisms was predicted for target substance 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS no. 79916 -07 -7). IGC50 value was estimated to be 51.96 mg/l for Tetrahymena pyriformis for 48 h duration.
Key value for chemical safety assessment
- EC50 for microorganisms:
- 51.96 mg/L
Additional information
Predicted data for the target chemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No. 79916-07-7) and various supporting weight of evidence studies for its closest read across substances with logKow as the primary descriptorwere reviewed for toxicity to microorganism endpoint to summarize the following information:
Toxicityto microorganismof target chemical3,7-bis(diethylamino)phenoxazin-5-ium acetate(CAS No. 79916-07-7) is predicted using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances (2017).On the basis of effects observed, the IGC50 value was estimated to be 51.96 mg/l for Tetrahymena pyriformis for 48 h duration.
In a weight of evidencestudy from peer reviewed journal (Dr. D. Brown et. al, 1981) of the read across chemical 3',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene ]-3-one (CAS no. 509-34-2),a screening method based on the measurement of the respiration rate of activated sludge for assessing the possible inhibitory effect of dyestuffs on aerobic waste-water bacteria. The test principle involves measuring the respiration rate of an activated sludge and comparing it with the respiration rate of the same activated sludge under identical conditions, but in the presence of the chemical under test. The test was carried out in activated sludge respiration rate apparatus with constant 20 ± 2°C and pH about 7-8. The test concentration used was 100 mg/l. OECD recommended synthetic sewage was used as feed, while activated sludge was obtained from a sewage works treating predominantly domestic sewage or from a sewage works treating predominantly industrial waste water. The respiration rate of an activated sludge and the respiration rate of activated sludge with test chemical were noted down. In order to calculate the inhibitory effect of a particular chemical at 100 mg/l test concentration its respiration rate is expressed as a percentage of the mean of the two control respiration rates. For those chemicals whose respiration rate is at least 80% of the control, the IC50 (concentration for 50% inhibition of respiration rate) is recorded as >100 mg/l. Thus, IC50 value (concentration for 50% inhibition of respiration rate) for the test chemical 3',6'-bis(diethylamino)-3H-spiro[2 -benzofuran-1,9'-xanthen]-3 -one on activated sludge (aerobic bacteria) is determined to be >100 mg/1 after 3 hrs of exposure.
For the read across chemical Diethyl aniline (CAS no. 91-66-7), toxicity to micro-organism (bacteria) study was carried out for 3 hrs (HPVIS, 2017). The study was performed according to a Screening Test for the Assessment of the Possible Inhibitory Effect of a Chemical Substance on Aerobic Waste Water Bacteria method. Activated sludge was used as a test organism during the study. Based on the inhibitory effect on the test organism activated sludge, the 3 hr EC50 value was determined to be > 100 mg/l.
Thus, based on the overall reported results for target chemical3,7-bis(diethylamino)phenoxazin-5-ium acetate(OECD QSAR toolbox version 3.3, 2017) and for its read across substance (frompeer reviewed journal and secondary source HPVIS),it can be concluded that the IGC50 value for the test chemical3,7-bis(diethylamino)phenoxazin-5-ium acetatewas estimated to be 51.96 mg/l, respectively.
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