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EC number: 208-953-6 | CAS number: 548-62-9
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from authoritative database.
- Qualifier:
- according to guideline
- Guideline:
- other: Refer principle below
- Principles of method if other than guideline:
- The BCF value of chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride was estimated in fish using log Kow of 0.51 and regression derived equation.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name (IUPAC): 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride
- Name of test material (as cited in study report): Gentian Violet
- Molecular formula: C25H30ClN3
- Molecular weight: 407.986 g/mol
- Smiles notation): CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
- InChl : InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
- Substance type: organic
- Physical state: Dark green powder - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: Estimated
- Water / sediment media type:
- natural water: freshwater
- Type:
- BCF
- Value:
- 3 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: other details not available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The BCF value of chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride estimated was 3 dimensionless and it is far less than 2000 so it is concluded that this chemical is non bioaccumulative.
- Executive summary:
The BCF value of chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride (CAS no. 548-62-9) was estimated as 3 dimensionless by using log Kow of 0.51 and regression derived equation and it is far less than 2000. So it is concluded that this chemical is non bioaccumulative.
Reference
Description of key information
The BCF value of chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride (CAS no. 548-62-9) was estimated is 3 dimensionless by using log Kow of 0.51 and regression derived equation and it is far less than 2000. So it is concluded that this chemical is non bioaccumulative.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3 dimensionless
Additional information
Various predicted data for the target compound 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride (CAS no. 548-62-9) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In the study from HSDB ( Hazardous Substance Data Bank, 2017).The BCF value of chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride (CAS no. 548-62-9) was estimated is 3 dimensionless by using log Kow of 0.51 and regression derived equation.
In a Prediction done from BCFBAF Program (v3.00) model of EPI suite v.3.01 ( Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride is 3.162 L/kg wet.
Another predicted data from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation is based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride (CAS no.548-62-9) was estimated to be 39.5 dimensionless the predicted BCF result based on the 5 OECD principles.
In the supporting weight of evidence study from authoritative database ( J check, 2017). Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across substance 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride(CAS no 2465-27-2) on test organism Cyprinus carpio. Recovery ratio : Test water : 1st concentration area : 90.2 % , 2nd concentration area : 90.0% Fish : 54.0%, Limit of detection : Fish : 0.012 microg/g
And Nominal concentrations used in the study as - 1st Concentration area: 0.1 mg/L, 2nd Concentration area : 0.01 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h)5 .3 ppm(w/v). Thus according to static Fish Test the BCF value for read across substance 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride was observed to be 3.8-11 L/kg at dose concentration 0.1 ppm(w/v) and 6.1-16 L/kg at dose concentration 0.01 ppm(w/v) on test organism Cyprinus carpio during 6 weeks period. These BCF values indicate that the read across substance4-[4 -(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride is not bioaccumulative in fish and food chain.
In another supporting weight of evidence study from authoritative database HSDB ( Hazardous Substance Data Bank, 2017) The BCF value of read across chemical 4-[(4-dimethylaminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride (CAS no. 569-64-2) was estimated is 3 dimensionless by using log Kow of 0.62 and regression derived equation and it is far less than 2000 so it is concluded that this read across chemical is non bioaccumulative.
On the basis of above results for target chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride (CAS no. 548-62-9) (from HSDB, EPI suite and CompTox Chemistry Dashboard, 2017) and for its read across substance from authoritative databases (HSDB and J Check) it can be concluded that the BCF value of test substance 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride ranges from 3 to 39.5 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-{bis[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride is not expected to bioaccumulate in the food chain.
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