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EC number: 282-846-2 | CAS number: 84434-47-9
- 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25-04-2017 to 29-04-2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Data is from UERL lab.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 203 (Fish, Acute Toxicity Test)
- Principles of method if other than guideline:
- This study was designed to assess the toxic effects of the test compound on the ZEBRA FISH(Danio rerio) .Bowl aquaria containing 2 liters of potable water (passed through reverse osmosis system) were loaded with 8 fishes each. A static procedure was used for the study and it was conducted in compliance with the OECD guideline 203. The experimental phase of the main study started at 27-02-207 and lasted for a period of 96 hrs.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate
- Molecular formula: C24H28N3C2H3O2
- Molecular weight : 417.5499 g/mol
- Smiles notation : CC(=O)[O-].CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C
- InChl : 1S/C24H27N3.C2H4O2/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;1-2(3)4/h6-17H,1-5H3;1H3,(H,3,4)
- Substance type:Organic
- Physical state: Greenish lustrous Liquid
- Batch No: KCP/FS//170/17
- Stability: Stable in recommended storage conditions
- Solubility in Water: 102950 mg/L - Analytical monitoring:
- not specified
- Vehicle:
- no
- Details on test solutions:
- The test substance was soluble in water. Therefore, the test solution was prepared by dissolving 100 mg of the test substance in 100 ml of potable water (passed through reverse osmosis system) with 1 hr.continuous stirring for achieving test concentrations of 1 g/L. Hence, concentrations are 0.3125mg/L,0.625mg/L,1.25mg/L,2.5mg/L,5mg/L,respectively.
- Test organisms (species):
- Danio rerio (previous name: Brachydanio rerio)
- Details on test organisms:
- TEST ORGANISM
- Common name:ZEBRA FISH
- Source:UNIQUE AQUARIUM, NAGPUR
- Length at study initiation (length definition, mean, range and SD):average 1.94 cm
- Weight at study initiation (mean and range, SD):0.1494 g (average)
ACCLIMATION
- Acclimation period:7 days
- Type and amount of food during acclimation:Standard brand feed
- Feeding frequency during acclimation:Daily once
- Health during acclimation (any mortality observed):During last 48 hours = 0
FEEDING DURING TEST
- Food type:Standard brand feed
- Frequency:Withdrawal of food 1 day before and during exposure - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- yes
- Total exposure duration:
- 96 h
- Hardness:
- 148.5 mg of CaCO3
- Test temperature:
- 23 °C
- pH:
- 7.12
- Dissolved oxygen:
- 7.8 mg/l
- Nominal and measured concentrations:
- 0 and 100 mg/l
- Details on test conditions:
- TEST SYSTEM
- Test vessel:The test vessels used were all plastic aquaria having the water capacity of 5liters.
- Material, size, headspace, fill volume: 2 liters
- No. of organisms per vessel:8 fishes
OTHER TEST CONDITIONS
- Photoperiod:16 hours light and 8 hours dark
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- > 0.312 - < 0.625 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Sublethal observations / clinical signs:
Mortality and symptoms:
Nominal
Concentration
(mg/l)
Number of
fish
Mortality (cumulated) after
3 h
6 h
24h
48h
72h
96h
V1
V2
V1
V2
V1
V2
V1
V2
V1
V2
V1
V2
Control
4
4
-
-
-
-
-
-
-
-
-
-
-
-
0.3125
4
4
-
-
-
-
-
-
-
-
-
-
-
-
0.625
4
4
-
-
-
-
4
4
4
4
4
4
4
4
1.25
4
4
-
-
-
-
4
4
4
4
4
4
4
4
2.5
4
4
-
-
-
-
4
4
4
4
4
4
4
4
5
4
4
-
-
-
-
4
4
4
4
4
4
4
4
Visible Symptoms:
Nominal
Concentration
(mg/l)
Number of
fish
symptom (cumulated) after
3 h
6 h
24h
48h
72h
96h
V1
V2
V1
V2
V1
V2
V1
V2
V1
V2
V1
V2
Control
4
4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
0.3125
4
4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
NS4
0.625
4
4
NS4
NS4
NS4
NS4
IS4
IS4
-
-
-
-
-
-
1.25
4
4
NS4
NS4
NS4
NS4
IS4
IS4
-
-
-
-
-
-
2.5
4
4
NS4
NS4
NS4
NS4
IS4
IS4
-
-
-
-
-
-
5
4
4
NS4
NS4
NS4
NS4
IS4
IS4
-
-
-
-
-
-
Explanation of symptoms:
A: apathy
N: Narcotic-like state
C: Swimming near water surface
M: Slow movements compared to control
NS: No abnormal symptoms
S: Surfacing behaviour
L: Loss of equilibrium
SM: Shimming movement
H1: Hyperactivity
H2: Hypo activity
B: Bending behavior
F: Fin rot
IS: Invert Swimming
SB: Swimming behaviour
RF: Respiratory Function
P: Pigmentation
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on nominal concentrations, experimental median lethal Concentrations [LC-50 (96 h)] for CAS No.84434-47-9 on Zebra fish(Danio rerio)was determine to be > 0.3125 mg/L but < 0.625 mg/L.
- Executive summary:
Fish Acute Toxicity test according to OECD Guideline 203 was conducted for (test item name) [4-[[4 -(dimethylamino)phenyl][4-(methylamino)phenyl]methylene] cyclohexa-2,5-dien- 1-ylidene]dimethylammonium acetate The nominal concentration selected for the experiment were 0.3125mg/L,0.625mg/L,1.25mg/L,2.5mg/L,5mg/Land test fish were exposed to these concentration for 96 hours.
The lethal concentrations LC50 was found to be >0.3125 mg/L but <0.625 mg/L
LC0 (96 hours) (highest loading at which no mortality was observed) = 0.3125 mg/L
LC50 (96 hours) Experimental = >0.3125 mg/L but <0.625 mg/L
LC100 (96 hours) (lowest loading at which 100% mortality was observed) = 0.625 mg/L
Reference
Description of key information
Fish Acute Toxicity test according to OECD Guideline 203 was conducted for (test item name) [4-[[4 -(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene] dimethylammonium acetate The nominal concentration selected for the experiment were 0.3125mg/L,0.625mg/L,1.25mg/L,2.5mg/L,5mg/Land test fish were exposed to these concentration for 96 hours.
The lethal concentrations LC50 was determine to be >0.3125 mg/L but <0.625 mg/L
LC0 (96 hours) (highest loading at which no mortality was observed) = 0.3125 mg/L
LC50 (96 hours) Experimental = >0.3125 mg/L but <0.625 mg/L
LC100 (96 hours) (lowest loading at which 100% mortality was observed) = 0.625 mg/L
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 0.312 mg/L
Additional information
Three studies including predicted data from experimental data and from authorative database and also from validated tools for short term fish toxicity endpoint of target chemical N-(4-{[4 -(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate (Cas no. 84434-47-9) with relevant read across chemical which is structurally similar to target were summarized as follows:
First key experimental study suggest Fish Acute Toxicity test according to OECD Guideline 203 was conducted for (test item name) [4-[[4 -(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate The nominal concentration selected for the experiment were 0.3125mg/L,0.625mg/L,1.25mg/L,2.5mg/L,5mg/Land test fish were exposed to these concentration for 96 hours. The lethal concentrations LC50 was found to be >0.3125 mg/L but <0.625 mg/L,LC0 (96 hours) (highest loading at which no mortality was observed) = 0.3125 mg/L LC50 (96 hours) ,Experimental = >0.3125 mg/L but <0.625 mg/L and LC100 (96 hours) (lowest loading at which 100% mortality was observed) = 0.625 mg/L
Similarly above experimental result supported by prediction using the aquatic toxicity module i.e ACD/LabsI-Lab 2.0; Algorithm Version: v5.0.0.184, the lethal concentration (LC50) of the test substance N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium acetate was predicted to be 0.12 mg/l on fish species Fathead minnow (Pimephales promelas).
The Reliability Index (RI) of the prediction was reported to be 0.6(As per model substance have moderate and high reliability if RI > 0.5). Thus reported RII value indicate it has moderate reliability. Based on the LC50 value, it can be concluded that the substance N-(4 -{[4 -(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5 -dien-1 -ylidene)-N-methylmethanaminium chloride can be considered as toxic to aquatic organisms and thus classified in aquatic category 1 as per the CLP criteria.
In the third supportingstudy experiment data of read across chemical N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride (Cas no. 569 -64 -2) wherein acute fish toxicity study was carried out to determine the lethal concentration (LC50) of test substance on fish for exposure period of 96 hrs. Test organism used was Morone saxatilis (Striped Bass) The Lethal concentration to 50% of test organisms (LC50) on the basis of mortality effect was observed to be 0.138 mg/l for exposure period of 96 hrs. (Ecotox database by US EPA)
Thus available studies for short term fish toxicity give common conclusion as test chemical N-(4-{[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)- N-methylmethanaminium acetate (Cas no. 84434-47-9) was toxic to fish and thus classified in aquatic category 1 as per the CLP criteria.
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