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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 aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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):
- Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Test temperature:
- 23 ± 1°C
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.579 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The median Effective concentration (EC50) value for 3,7-bis(diethylamino)phenoxazin-5-ium acetate on Pseudokirchneriella subcapitata in a 72 hour study was estimated to be 0.578 mg/L on the basis of effects on growth rate.
- 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, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS no. 79916 -07 -7). EC50 value was estimated to be 0.578 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance 3,7-bis(diethylamino)phenoxazin-5-ium acetate is considered to be toxic to aquatic environment and can be considered to be classified in aquatic acute 1/ chronic 1 category as per the CLP classification criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
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 (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and "k" )
)
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 Peroxy Acids by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Salt by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Peroxy Acids by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Triazines, Aromatic by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Peroxy Acids by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not Related to an Existing
ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.42
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 6.56
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, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS no. 79916 -07 -7). EC50 value was estimated to be 0.578 mg/l for Pseudokirchneriella subcapitata for 72 h duration. Based on this value it can be concluded that the substance 3,7-bis(diethylamino)phenoxazin-5-ium acetate is considered to be toxic to aquatic environment and can be considered to be classified in aquatic acute 1 / chronic 1 category as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 0.578 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 aquatic algae and cyanobacteria endpoint to summarize the following information:
Short term toxicity on aquatic algae and cyanobacteria of 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 in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 0.578 mg/l for Pseudokirchneriella subcapitata for 72 duration.
In a weight of evidencestudy from authoritative database (HSDB, 2017) of the read across chemical 4-(dimethylamino)-3-methylphenyl N-methylcarbamate (CAS no. 2032-59-9), short term toxicity to Chlamydomonas variabilis (green algae) study was carried out for 24 hrs. The study was based on the effects of the read across compound 4 -(dimethylamino)-3 -methylphenyl N-methylcarbamate on Chlamydomonas variabilis in a static fresh water system. Based on the inhibitory effect on the test organism Chlamydomonas variabilis, the 24 hr IC50 value was determined to be 0.0008 mg/l, respectively.
Another short term toxicity to aquatic algae study was carried out for 28 hrs for the same read across chemical 4-(dimethylamino)-3-methylphenyl N-methylcarbamate (CAS no. 2032-59-9) (ECOTOX database, 2017).The study was based on the effects of the read across compound 4 -(dimethylamino)-3 -methylphenyl N-methylcarbamate (CAS no. 2032 -59 -9) on algae in a static fresh water system at a temperature of 12°C. Based on effect on physiology of the test organism algae, the 28 hr EC50 value was determined to be 0.56 mg/l, respectively.
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 (fromauthoritative database HSDB and ECOTOX),it can be concluded that the test substance3,7-bis(diethylamino)phenoxazin-5-ium acetatecan be considered as toxic to aquatic algae and cyanobacteria and can be considered to be classified in aquatic acute 1/ chronic 1 category as per the CLP classification criteria.
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