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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
The skin sensitization potential of 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The chemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs and can be classified under the category “Not Classified” as per CLP regulation.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- 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:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- 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 - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male/female
- Details on test animals and environmental conditions:
- No data available
- Route:
- intradermal and epicutaneous
- Vehicle:
- not specified
- Concentration / amount:
- No data available
- Day(s)/duration:
- No data available
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Concentration / amount:
- No data available
- Day(s)/duration:
- 72 hours
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 20
- Details on study design:
- No data available
- Reading:
- 1st reading
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- No data available
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Clinical observations:
- No skin sensitization was observed in treated guinea pigs.
- Remarks on result:
- no indication of skin sensitisation
- Cellular proliferation data / Observations:
- No skin sensitization was observed in treated guinea pigs.
- Interpretation of results:
- other: Not sensitizing
- Conclusions:
- The chemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.
- Executive summary:
The skin sensitization potential of 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The chemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs and can be classified under the category “Not Classified” as per CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" )
and "c" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and "h" )
and ("i"
and "j" )
)
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 DNA binding by
OASIS v.1.3 ONLY
Domain
logical expression index: "d"
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: "e"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR No alert found OR SN1 >> Iminium
Ion Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary
amines OR SN1 >> Nitrenium Ion formation >> Aromatic azo by DNA binding
by OECD
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 Alkali Earth OR Halogens by
Groups of elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acetoxy AND Aromatic amine AND
Fused carbocyclic aromatic AND Fused heterocyclic aromatic AND
Overlapping groups by Organic Functional groups (nested) ONLY
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.01
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 6.97
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
- Additional information:
Skin sensitization:
Various studieshas been investigated for the test chemical3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs and humans for target chemical3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) and its structurally similar read across substances7-Diethylamino-4-methylcoumarin (CAS No: 91-44-1), 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}) (CAS No: 16090-02-1) and N, N-Diethylaniline (CAS No: 91-66-7).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
The skin sensitization potential of 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) was estimated using OECD QSAR toolbox version 3.3 with log Pow as the primary descriptor. The chemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs
The B.M. Hausen and M. Berger {Contact Dermatitis1989: 21: 141-147} conducted skin sensitization study of read across substance7-Diethylamino-4-methylcoumarin (CAS No: 91-44-1)in 10 female guinea pigs by using modified FCA and guinea pig maximization test.In the induction phase, the test compound was dissolved in FCA, 15 mg in 4 ml. Then physiological saline was added and an emulsion was prepared by mixing the material by mean of a 5ml syringe, until emulsification was completed.The intradermal injections of 6 X 0.10-0.15 ml of this emulsion was applied in a semi-circle arc on clipped and shaved shoulder from left to right in such a way that whole quantity of emulsion was used up for 10 animals. This procedure was repeated on 5thand 9thday. , leaving a gap of 2-3 cm between the rows of injection.After induction phase of 11 days, animals were challenged by applying 0.05ml of test chemical in a subirritant concentration, with further dilution to the clipped and shaved skin of the right flank of the treated animals, allowing 5 mins for drying. Control animals were also used.Mean Observations were made after 24, 48 and 72 hours. As no sensitization effects were observed, the test material 7-Diethylamino-4-methylcoumarin (CAS No: 91-44-1) can be concluded as non-sensitizing to the female guinea pigs.
The above results were supported by the human repeated insult patch test carried out by M.L.Keplinger {Toxicology and Applied Pharmacology; Volume 27, Issue 3, March 1974, Pages 494-506} on 200 subjects to assess the contact sensitization caused by the read across chemical 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}) (CAS No: 16090-02-1) under occlusive condition.Induction was carried out on at a dose of 1 and 5% on petrolatum Mondays, Wednesdays and Fridays, total 10 applications were made. After 24 hours patches were removed and skin sits were scored for primary irritation.After a rest period of 10-14 days, a challenge patch was applied (to the same site, an adjacent site or both). After 24 hours the patches were removed and the sites were examined for reactions immediately and 24 and 48 hours later.Since there was no evidence of any contact sensitization, the chemicaldisodium 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}) (CAS No: 16090-02-1) was considered to be notsensitizingon skin of human subjects.
The above results were further supported by the skin sensitization study reported by U.S. Environmental Protection Agency Hazard Characterization Document {U.S. Environmental Protection Agency Hazard Characterization Document. September, 2009}for read across chemicalN, N-Diethylaniline (CAS No: 91-66-7)in guinea pigs. In this study, the test animals were treated dermally with 10% solution of N, N-diethylaniline during induction. After induction, treated animals were dermally exposed to challenge concentration of 1 or 2% solutions of N, N-diethylaniline. Since the test animals failed to induce any cutaneous reaction at challenge concentrations, the test chemical N, N-Diethylaniline (CAS No: 91-66-7) was considered as not sensitizing to guinea pigs.
Thus on the basis of available data for thetarget chemical3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) and its structurally similar read across substances7-Diethylamino-4-methylcoumarin (CAS No: 91-44-1), 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}) (CAS No: 16090-02-1) and N, N-Diethylaniline (CAS No: 91-66-7),it can be concluded thatchemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) is unable to cause skin sensitization and considered as non-skin sensitizer. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
The skin sensitization potential of test substance 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) and its structurally similar read across substances 7-Diethylamino-4-methylcoumarin (CAS No: 91-44-1), 2,2'-ethene-1,2-diylbis{5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonate}) (CAS No: 16090-02-1) and N, N-Diethylaniline (CAS No: 91-66-7) were observed in various studies. From the results obtained from these studies it is concluded that the chemical 3,7-bis(diethylamino)phenoxazin-5-ium acetate (CAS No: 79916-07-7) is not likely to cause skin sensitization and hence can be classified as non-skin sensitizer.
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