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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
Acute oral toxicity:
Based on the prediction done by SSS (2017) on 3,7-bis(diethylamino)phenoxazin-5-ium acetate, LD50 was estimated to be 707 mg/kg bw, when Wistar female rats were treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate via oral gavage route. Thus, comparing this value with the criteria of CLP regulation, 3,7-bis(diethylamino)phenoxazin-5-ium acetate can be classified as category IV for acute oral toxicity.
Acute Inhalation toxicity:
Based on the prediction done by SSS (2017) on 3,7-bis(diethylamino)phenoxazin-5-ium acetate, LC50 was estimated to be 6.67 mg/L air, when male/female rats were exposed with 3,7-bis(diethylamino)phenoxazin-5-ium acetate for 7 h of exposure period. Thus, comparing this value with the criteria of CLP regulation, 3,7-bis(diethylamino)phenoxazin-5-ium acetate can be classified as category V for acute inhalation toxicity.
Acute Dermal toxicity:
Based on the prediction done by SSS (2017) on 3,7-bis(diethylamino)phenoxazin-5-ium acetate, LD50 was estimated to be 5135 mg/kg bw, when New Zealand White male rabbit was treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate by dermal application. Thus, comparing this value with the criteria of CLP regulation, 3,7-bis(diethylamino) phenoxazin-5-ium acetate can be classified as category V for acute dermal toxicity.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- 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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- other: 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:
- Wistar
- Sex:
- female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Details on oral exposure:
- not specified
- Doses:
- 707 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- 707 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality observed
- Mortality:
- not specified
- Clinical signs:
- not specified
- Body weight:
- not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- LD50 was estimated to be 707 mg/kg bw when Wistar female rats were treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate via oral gavage route.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3,7-bis(diethylamino)phenoxazin-5-ium acetate ( 79916-07-7). The LD50 was estimated to be 707 mg/kg bw when Wistar female rats were treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate via oral gavage route.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
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 (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and "m" )
and "n" )
and "o" )
and "p" )
and "q" )
and ("r"
and (
not "s")
)
)
and ("t"
and "u" )
)
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 US-EPA New
Chemical Categories
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Peroxides by US-EPA New Chemical
Categories
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Substituted Triazines (Acute
toxicity) by US-EPA New Chemical Categories
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Phenols (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Esters (Acute toxicity) OR
Hindered Amines by US-EPA New Chemical Categories
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aldehydes (Acute toxicity) OR
Aliphatic Amines OR Boron Compounds by US-EPA New Chemical Categories
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Acetoxy AND Aromatic amine AND
Aryl AND Carboxylic acid AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic by Organic Functional groups ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Acetoxy AND Aromatic amine AND
Aryl AND Carboxylic acid AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic by Organic Functional groups ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Acetoxy AND Aromatic amine AND
Aryl AND Carboxylic acid AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic by Organic Functional groups ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Acetoxy AND Aromatic amine AND
Aryl AND Carboxylic acid AND Fused carbocyclic aromatic AND Fused
heterocyclic aromatic by Organic Functional groups ONLY
Domain
logical expression index: "q"
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: "r"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Anilines (Hemolytic anemia with
methemoglobinemia) Rank A by Repeated dose (HESS)
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 8.87
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 707 mg/kg bw
- Quality of whole database:
- Data is Klimicsh 2 and from QSAR toolbox 3.3
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- 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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- other: 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:
- not specified
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- not specified
- Remark on MMAD/GSD:
- not specified
- Details on inhalation exposure:
- not specified
- Analytical verification of test atmosphere concentrations:
- not specified
- Duration of exposure:
- 7 h
- Remarks on duration:
- not specified
- Concentrations:
- 6.67 mg/L air
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- 6.67 mg/L air
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality observed
- Mortality:
- not specified
- Clinical signs:
- other: not specified
- Body weight:
- not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- LC50 was estimated to be 6.67 mg/L air, when male/female rats were exposed with 3,7-bis(diethylamino)phenoxazin-5-ium acetate for 7 h of exposure period.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute inhalation toxicity was estimated for 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916 -07 -7). The LC50 was estimated to be 6.67 mg/L air, when male/female rats were exposed with 3,7-bis(diethylamino)phenoxazin-5-ium acetate for 7 h of exposure period.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LC50
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" )
)
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 Non-Metals by Groups of elements
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alkali Earth by Groups of
elements
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.932
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 8.87
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LC50
- Value:
- 104.62 mg/m³
- Quality of whole database:
- Data is Klimisch 2 and QSAR toolbox 3.3.
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- 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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- other: 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:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- not specified
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Details on dermal exposure:
- not specified
- Duration of exposure:
- not specified
- Doses:
- 5135 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male
- Dose descriptor:
- LD50
- Effect level:
- 5 135 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality observed
- Mortality:
- not specified
- Clinical signs:
- not specified
- Body weight:
- not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- LD50 was estimated to be 5135 mg/kg bw, when New Zealand White male rabbit was treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate by dermal application.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 3,7-bis(diethylamino)phenoxazin-5-ium acetate ( 79916-07-7). The LD50 was estimated to be 5135 mg/kg bw, when New Zealand White male rabbit was treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate by dermal application.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" )
and "c" )
and ("d"
and (
not "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 DNA binding by
OASIS v.1.3 ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Alkali Earth by Groups of
elements
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.58
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.46
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 135 mg/kg bw
- Quality of whole database:
- Data is Klimicsh 2 and from QSAR toolbox 3.3
Additional information
Acute oral toxicity:
In different studies, 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rats and mice for 3,7-bis(diethylamino)phenoxazin-5-ium acetate along with the study available on structurally similar read across substance Rhodamine B (CAS no: 81-88-9) and 7-(diethylamino)-4-methyl-2-benzopyrone (CAS no: 91-44-1). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3,7-bis(diethylamino) phenoxazin-5-ium acetate ( 79916-07-7). The LD50 was estimated to be 707 mg/kg bw when Wistar female rats were treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate via oral gavage route.
The above study supported by P.L Smart (The NSS Bulletin 21-33, 1984), for the structurally similar read across substance Rhodamine B (CAS no: 81-88-9).The acute oral toxicity was tested in rats at the concentration of 500 mg/kg orally. No mortality observed in treated rats. Therefore, LD50 was considered to be > 500 mg/kg when rats were treated with rhodamine B orally.
This study is further supported by U.S. National Library of Medicine (ChemIDplus, 2017) and Review of the toxicology of a number of dyes illegally present in food in the EU, The EFSA Journal, 263, 1-71 (2005), for the structurally similar read across substance Rhodamine B (CAS no: 81-88-9). The acute oral toxicity was tested in mice at the dose concentration of 887 mg/kg bw. 50% mortality was observed at 887 mg/kg. Therefore, LD50 was considered to be 887mg/kg bw, when mice were treated with Rhodamine B via oral route.
In another study conducted by U.S. National Library of Medicine (ChemIDplus, 2017), for the structurally similar read across substance 7-(diethylamino)-4-methyl-2-benzopyrone (CAS no: 91-44-1).The acute oral toxicity was tested in mice at the dose concentration of 1780 mg/kg bw. 50% mortality was observed with behavioral changes such as, Somnolence (General Depressed Activity) in tested animals at 1780 mg/kg. Therefore, LD50 was considered to be 1780 mg/kg bw, when mice were treated with 7-(diethylamino)-4-methyl-2-benzopyrone via oral route.
Thus, based on the above studies on 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) and it’s read across substances, it can be concluded that LD50 value is between 300 - 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-bis(diethylamino)phenoxazin-5-ium acetate can be classified as category IV of acute oral toxicity.
Acute Inhalation toxicity:
In different studies, 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) has been investigated for acute inhalation toxicity to a greater or lesser extent. Often are the studies conducted most commonly on human and rodents like rats and mice for 3,7-bis(diethylamino) phenoxazin-5-ium acetate along with the study available
on structurally similar read across substanceRhodamine B (81-88-9) andclosely related read across substance 2-Butanone, peroxide (CAS no: 1338-23-4). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute inhalation toxicity was estimated for 3,7-bis(diethylamino) phenoxazin-5-ium acetate (79916 -07 -7). The LC50 was estimated to be 6.67 mg/L air, when male/female rats were exposed with 3,7-bis(diethylamino)phenoxazin-5-ium acetate for 7 h of exposure period.
The above study is supported by Danielet al(CLINICAL TOXICOLOGY, 25 (7), 603-60, 1987), for the structurally similar read across substanceRhodamine B (81-88-9).Approximately 10 lbs=4.53kg of Rhodamine B powder was spilled onto the floor of a vehicle maintenance shop. A cleanup crew began to sweep up the powder from the floor. This resulted in an aerosol of Rhodamine B dust that dispersed throughout the building contaminating the hair, skin, eyes, and clothing of most of the shop employees. 16 out of 17 of the patients (94%) complained of symptoms such as - One patient (6%) denied any symptoms despite being exposed to the dust for 15 minutes without a surgical mask. The most frequently reported symptom was burning of the eyes which occurred in 83% of the patients. Four of the patients (24%) were placed on humidified oxygen because of respiratory symptoms. Five o f the patients (29%) underwent irrigation of their eyes secondary to eye burning. After being discharged from the hospital and follow up is maintained. Ten of the patients (59%) reported that their symptoms had resolved within 4 hours of their exposure to the dust. One patient (6%) reported that his symptoms lasted 12 hours and 2 patients (12%) reported their symptoms lasted 24 hours. Three of the patients (18%) could not remember the duration of their symptoms. No serious effects observed .Based on this the Effect concentration could be reported as approx (4.53kg) 4530000mg.
These results are further supported by U.S. National Library of Medicine (ChemIDplus, 2017), for the closely related read across substance 2-Butanone, peroxide (CAS no: 1338-23-4). The acute inhalation toxicity study was conducted in mice at the concentration of170 ppm. 50% mortality was observed with clinical Symptoms like dyspnea and changes in lungs, thorax was observed at 170 ppm, when exposed for 4 hours. Therefore, LC50 was considered to be170 ppm (1461.68 mg/m3) when mice were treated with 2-Butanone, peroxide by inhalation for 4 hours.
Thus, based on the above studies on 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) and it’s read across substances, it can be concluded that LC50 value is greater than 5 mg/L air. Thus, comparing this value with the criteria of CLP regulation, 3,7-bis(diethylamino)phenoxazin-5-ium acetate can be classified as category V of acute inhalation toxicity.
Acute Dermal toxicity:
In different studies, 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rats and rabbits for 3,7-bis(diethylamino)phenoxazin-5-ium acetate along with the study available on closely related read across substance Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (16090-02-1) and Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate (13863-31-5). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 3,7-bis(diethylamino) phenoxazin-5-ium acetate (79916-07-7). The LD50 was estimated to be 5135 mg/kg bw, when New Zealand White male rabbit was treated with 3,7-bis(diethylamino)phenoxazin-5-ium acetate by dermal application.
This study is supported by Keplingeret al(Toxicology and Applied Pharmacology; Volume 27, Issue 3, March 1974, Pages 494-506), for the closely related read across substance Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (16090-02-1).Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000 and 10000 mg/kg bw. Test material was applied to both intact and abraded sites on rabbits. After occlusion for 24 hr, unabsorbed test material was removed and treated sites were examined for local reactions. After an observation period of 14 days, the animals were sacrificed and examined for gross pathologic changes. No Mortality observed at 10000 mg/kg bw. Moderate erythema disappearing by day 4, was observed; but there were no signs of systemic toxicity. No gross pathologic changes were observed. Therefore, LD50 was considered to be >10000 mg/kg bw, when albino rabbits were treated with Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate occlusively for 24 h exposure by dermal application to intact and abraded sites.
The above study is further supported by Keplinger et al (Toxicology and Applied Pharmacology; Volume 27, Issue 3, March 1974, Pages 494-506), for the closely related read across substance Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate (16090-02-1).Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000 mg/kg bw. Test material was applied in the form of paste in polyethylene glycol to both intact and abraded sites on rabbits.After occlusion for 24 hr, unabsorbed test material was removed and treated sites were examined for local reactions. After an observation period of 14 days, the animals were sacrificed and examined for gross pathologic changes.No Mortality observed at 5000 mg/kg bw.Moderate erythema disappearing by day 4, was observed; but there were no signs of systemic toxicity.No gross pathologic changes were observed. Therefore, LD50 was considered to be >5000 mg/kg bw, when albino rabbits were treated with Disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate occlusively for 24 h exposure by dermal application to intact and abraded sites.
These results are further supported by U.S. National Library of Medicine (ChemIDplus, 2017), for the closely related read across substance Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate (13863-31-5).TheAcute Dermal toxicity study was conducted in rabbits at the concentration of 2000 mg/kg bw. No Mortality observed at 2000 mg/kg bw. Therefore, LD50 was considered to be >2000 mg/kg bw, when rabbits were treated with Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate by dermal application.
Thus, based on the above studies on 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-bis(diethylamino)phenoxazin-5-ium acetate can be classified as category V of acute dermal toxicity.
Justification for classification or non-classification
Based on the above studies and prediction on 3,7-bis(diethylamino)phenoxazin-5-ium acetate (79916-07-7) and it’s read across substances, it can be concluded that LD50 value is between 300 - 2000 mg/kg bw for acute oral toxicity, LD50 value is greater than 2000 mg/kg bw for acute dermal toxicity and LC50 value is greater than 5 mg/L air. Thus, comparing this value with the criteria of CLP regulation, 3,7-bis(diethylamino)phenoxazin-5-ium acetate can be classified as category IV for acute oral, category V for acute dermal and inhalation toxicity.
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