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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
Endpoint summary
Administrative data
Description of key information
Prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose oral toxicity was predicted for the test compound 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7). The study assumed the use of male and female Sprague-Dawley rats in subchronic study of 4 weeks on daily basis. No significant alterations were noted at the dose level of 186.1714mg/Kg bw/day. The predicted No Observed Adverse Effect Level (NOAEL) for 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7)is considered to be 186.1714mg/Kg bw/day. Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
Repeated dose toxicity: via oral route - systemic effects
Link to relevant study records
- Endpoint:
- repeated dose toxicity: oral, other
- 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:
- Prediction is done using OECD QSAR Toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: AS mention below
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3, 2017
- GLP compliance:
- not specified
- Limit test:
- no
- 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 - Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- Not specified
- Route of administration:
- oral: gavage
- Details on route of administration:
- Not specified
- Vehicle:
- not specified
- Details on oral exposure:
- Not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 4 weeks
- Frequency of treatment:
- Not specified
- Remarks:
- No data
- No. of animals per sex per dose:
- Not specified
- Control animals:
- not specified
- Details on study design:
- Not specified
- Positive control:
- Not specified
- Observations and examinations performed and frequency:
- Not specified
- Sacrifice and pathology:
- Not specified
- Other examinations:
- Not specified
- Statistics:
- Not specified
- Clinical signs:
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Immunological findings:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Neuropathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
- Details on results:
- Not specified
- Dose descriptor:
- NOAEL
- Effect level:
- 186.171 other: mg/kg/day
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: No toxic effect were observed at this dose.
- Remarks on result:
- other: No toxic effect were observed
- Critical effects observed:
- not specified
- Treatment related:
- not specified
- Dose response relationship:
- not specified
- Relevant for humans:
- no
- Conclusions:
- The predicted No Observed Adverse Effect Level (NOAEL) for 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) is considered to be 186.1714mg/Kg bw/day.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose oral toxicity was predicted for the test compound 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7). The study assumed the use of male and female Sprague-Dawley rats in subchronic study of 4 weeks on daily basis. No significant alterations were noted at the dose level of 186.1714mg/Kg bw/day. The predicted No Observed Adverse Effect Level (NOAEL) for 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7)is considered to be 186.1714mg/Kg bw/day. Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL
Estimation method: Takes average value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a"
or "b" )
and ("c"
and (
not "d")
)
)
and "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and "j" )
and ("k"
and "l" )
)
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 Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as 4,4'-Diethylaminoethoxyhexestrol
(Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Metalloids by Groups of elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> Epoxides and
Related Chemicals OR SN2 >> Epoxides and Related Chemicals >> Epoxides
by Protein binding by OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.746
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.66
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 186.171 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- K2 data from QSAR
Repeated dose toxicity: inhalation - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: inhalation - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - systemic effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Repeated dose toxicity: dermal - local effects
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Repeated dose toxicity Oral:
Prediction model based estimation and data available for the target chemical was reviewed to determine the toxic nature of 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) upon repeated exposure by oral, dermal and inhalation route of exposure. The studies are as mentioned below:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose oral toxicity was predicted for the test compound 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7). The study assumed the use of male and female Sprague-Dawley rats in subchronic study of 4 weeks on daily basis. No significant alterations were noted at the dose level of 186.1714mg/Kg bw/day. The predicted No Observed Adverse Effect Level (NOAEL) for 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7)is considered to be 186.1714mg/Kg bw/day. Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
In another short-term repeated dose toxicity: oral study was performed for read across substance which share similar structure by SIDS INITIAL ASSESSMENT PROFILE (OECD SIDS COCAM 3,2012) forDi-tert-butyl Peroxide(110-05-4). Repeated dose toxicity study was assessed for Di-tert-butyl Peroxide for its possible repeated dose toxicity effect. For this purpose Combined Repeated Dose Toxicity Study with the Reproduction / Developmental Toxicity Screening Test was performed according to OECD Guideline 422.The test material was exposed to the male and female rats by oral gavage for subchronic period. The test material was used at the concentration of 0, 100, 300 or 1000 mg/kg/day. Increased relative weights; minimal centrilobular and diffuse hepatocellular hypertrophy in liver; moderate diffuse tubular degeneration/regeneration with slight multifocal single cell necrosis and hyaline casts as well as hyaline droplets in kidneys of males was observed at 1000 mg/kg bw/day in treated animal compare to control. At 300 mg/kg bw/day increased relative liver and kidney weights were observed in treated males and females rats compare to control.
Therefore NOAEL was considered to be 100 mg/kg/day in male and female rats for Di-tert-butyl Peroxide by Oral gavage for sub chronic study.
Based on the data available for the target chemical and its prediction, 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) does not exhibit toxic nature upon repeated exposure by oral route of exposure and hence is not likely to classify as per the criteria mentioned in CLP regulation.
Repeated inhalation study:
According to Annex IX of the REACH regulation, testing by the inhalation route is appropriate only if exposure of humans via inhalation is likely. Taking into account the low vapour pressure of the substance3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7), which is reported as 5.15E-18 Pa at 25°C. Also considering the particle size distribution of the substance the majority of the particles was found to be in the size of 150 micrometer which is much larger size range compared to the inhalable particulate matter. Thus, exposure to inhalable dust, mist and vapour of the chemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate is highly unlikely. Therefore this study is considered for waiver.
Repeated dermal study
The acute toxicity value for3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7),(as provided in section 7.2.3) is 5135.0mg/kg bwmg/kg body weight. The substance was also found to be not irritating to skin. Also, given the use of the chemical as dye compound; repeated exposure by the dermal route is unlikely. Thus, it is expected that3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7)shall not exhibit 28 day repeated dose toxicity by the dermal route. In addition, there is no dermal absorption data as well as no data available that suggests that3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7)shall exhibit repeated dose toxicity by the dermal route. Hence this end point was considered for waiver.
Justification
Based on the data available for the target chemical and its prediction, 3,7-bis(diethylamino) phenoxazin-5-ium acetate (79916-07-7), does not exhibit toxic nature upon repeated exposure by oral, inhalation and dermal route of exposure and hence is not likely to classify as per the criteria mentioned in CLP regulation.
Justification for classification or non-classification
Based on the above annotation for the target chemical .3,7-bis(diethylamino) phenoxazin-5-ium acetate (79916-07-7), does not exhibit toxic nature upon repeated exposure by oral, inhalation and dermal route of exposure and hence is not likely to classify as per the criteria mentioned in CLP regulation.
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