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EC number: 228-770-5 | CAS number: 6358-36-7
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite model developed by the USEPA.
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF Program (v3.00) model
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - IUPAC name:4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride
- Name of test material (as cited in study report): C.I. Basic Yellow 37
- Molecular formula (if other than submission substance): C21H29N3.ClH
- Molecular weight (if other than submission substance): 359.942 g/mol
- Smiles notation (if other than submission substance): C(=N)(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC.Cl
- InChI: 1S/C21H29N3.ClH/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4;/h9-16,22H,5-8H2,1-4H3;1H
- Substance type: Organic
- Physical state: solid - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Reference substance (positive control):
- not specified
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 22.33 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated bio concentration factor (BCF) for chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) is 22.33 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) is not expected to bio accumulate in the food chain.
- Executive summary:
The estimated bio concentration factor (BCF) for chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) is 22.33 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) is not expected to bio accumulate in the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : c(cc(c1)C(=N(H)(H)CL)c(ccc2N(CC)CC)cc2)c(c1)N(CC)CC
CHEM : Basic Yellow 37
MOL FOR: C21 H30 CL1 N3
MOL WT : 359.95
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.35 (BCF = 22.3 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.129 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 1.32 (BAF = 21 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 2.55
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 1.349 (BCF = 22.33 L/kg wet-wt)
Description of key information
The estimated bio concentration factor (BCF) for chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) is 22.33 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) is not expected to bio accumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 22.33 L/kg ww
Additional information
Five studies including predicted data from validated models and experimental result of Bioaccumulation endpoint for the target chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride i.e C.I. Basic Yellow 37 (Cas no. 6358-36-7) and its structurally similar read across chemical were reviewed to summarize as follows:
First study from prediction model EPI suite 2017 using BCFBAF Program (v3.01), the estimated bio concentration factor (BCF) for target chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37) is 22.33 L/kg wet-wt.
Similarly another prediction model PBT profiler; 2017 indicated that the Bioaccumulation factor (BCF) was predicted to be 22 L/kg wet-wt at 25 deg.C for 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride (C.I. Basic Yellow 37).
From J-check database;2017 for read across Cas no. 509-34-2 experimental study result suggest that Bioaccumulation test was conducted for 28 days for determination the bioconcentration factor (BCF) and lipid content of test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) on test organism Cyprinus carpio.The purity of test substance by HPLC and LCMS was found to be 99.6% and water solubility value is 851mg/l at 25ᵒC .The recovery ratio is given-Test water: 97.8 % and Fish: 91.9 % And Nominal concentrations used in the study as - 1st concentration area: 10 microg/L, 2nd concentration area: 1 microg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 96 hr LC50 value was found to be > 10.0 mg/L.
By analytical methods, the limit of quantification was found to be-
Test water: (Fish: 9.3 ng/g)
1st concentration area: 0.18 µg/l
2nd concentration area: 0.018µg/l
Whereas the lipid content at the start and end of exposure was found to be 2.87% and 1.94%, respectively. Thus according to guideline OECD Guideline 305 (Bioconcentration: Flow through Fish Test) the BCF value for test substance 3',6'Bis(diethylamino)spiro[isobenzofuran1(3H),9'[9H]xanthene]3one (Cas no.509-34-2) was observed to be <= 0.91 L/kg at dose concentration 10 microg/L and <= 9.1 L/kg at dose concentration 1 microg/L on test organism Cyprinus carpio during 28 day period. These values indicate that the substance is not bioaccumulative.
Other experimental result (CHRIP National Institute of Technology and Evaluation , 2017) for read across chemical 2-(3-diethyliminio-6-diethylamino-3H-xanthene-9-yl)benzoyl chloride; 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthenium chloride i.e Rhodamine B (Cas no.81-88-9) indicate Bioaccumulation study was conducted in cyprinus carpio for 6 weeks and the BCF was found to be 0.2 and 1.7 L/Kg at the concentrations of 100 and 10 microgram /l for test substance Rhodamine B.
Last study from HSDB database; 2017 for read across chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride i.e auramine hydrochloride (Cas no. 2465-27-2) indicated the BCF range for auramine hydrochloride was experimentally determined to be 3.8-16 in a flow-through test using carp, Cyprinus Carpio This BCF value indicates that auramine hydrochloride will not bioconcentrate in fish.
Thus based on the above all available studies for target as well as read-across substance, it is concluded that the test substance chemical 4,4'-carbonimidoylbis(N,N-diethylaniline) hydrochloride i.e C.I. Basic Yellow 37 (Cas no. 6358-36-7) is non Bioaccumulative in aquatic environment.
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