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EC number: 221-490-4 | CAS number: 3118-97-6
- 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, other
- Remarks:
- aquatic organisms
- 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
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using Bioconcentration factor (v12.1.0.50374).This particular module provides bioconcentration factor (BCF) values over the entire pH scale. Calculations are performed for both neutral and ionic species present at a given pH and utilize predicted values for LogP as well as pKa. The BCF and Koc values characterize the tendency for a compound to accumulate in aquatic organisms and soil respectively, putting these two values among the most important ones in the assessment of environmental fate of chemicals.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol
- Common name: Sudan II
- Molecular formula: C18H16N2O
- Molecular weight: 276.337 g/mol
- Smiles notation: c12c(\N=N/c3c(cc(C)cc3)C)c(ccc1cccc2)O
- InChl:1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3
- Substance type: Organic
- Physical state: Solid - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: aquatic organisms
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Reference substance (positive control):
- not specified
- Key result
- Type:
- BCF
- Value:
- 4 878 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- other: no data
- Remarks on result:
- other: log(BCF) = 3.7 ± 1.0, BCF reported at pH range 1-8
- Key result
- pH:
- 9
- Type:
- BCF
- Value:
- 4 877 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: log(BCF) = 3.7 ± 1.0
- Key result
- pH:
- 10
- Type:
- BCF
- Value:
- 4 876 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: log(BCF) = 3.7 ± 1.0
- Key result
- pH:
- 11
- Type:
- BCF
- Value:
- 4 863 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: log(BCF) = 3.7 ± 1.0
- Key result
- pH:
- 12
- Type:
- BCF
- Value:
- 4 734 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: log(BCF) = 3.7 ± 1.0
- Key result
- pH:
- 13
- Type:
- BCF
- Value:
- 3 746 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: log(BCF) = 3.6 ± 1.0
- Key result
- pH:
- 14
- Type:
- BCF
- Value:
- 1 215 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: log(BCF) = 3.1 ± 1.0
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using Bio-concentration Factor (v12.1.0.50374) module, the BCF value of the test substance 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol at pH range 0-8 was estimated to be 4878 and at pH 9, 10, 11, 12, 13 and 14 was estimated to be 4877, 4876, 4863, 4734, 3746 and 1215, respectively (Log BCF ranges from 3.1 ± 1.0 to 3.7 ± 1.0).
- Executive summary:
Using Bio-concentration Factor (v12.1.0.50374) module, the BCF value of the test substance 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS no. 3118 -97 -6) at pH range 0-8 was estimated to be 4878 and at pH 9, 10, 11, 12, 13 and 14 was estimated to be 4877, 4876, 4863, 4734, 3746 and 1215, respectively (Log BCF ranges from 3.1 ± 1.0 to 3.7 ± 1.0). This value indicates that the test substance 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol was considered to be accumulative in aquatic organisms.
Reference
Description of key information
Using Bio-concentration Factor (v12.1.0.50374) module (Advanced Chemistry Development)/I-Lab predictive module, 2017), the BCF value of the test substance 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS no. 3118 -97 -6) at pH range 0-8 was estimated to be 4878 and at pH 9, 10, 11, 12, 13 and 14 was estimated to be 4877, 4876, 4863, 4734, 3746 and 1215, respectively (Log BCF ranges from 3.1 ± 1.0 to 3.7 ± 1.0). This value indicates that the test substance 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol was considered to be accumulative in aquatic organisms.
Key value for chemical safety assessment
- BCF (aquatic species):
- 4 878 dimensionless
Additional information
Various predicted data for the target compound1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol(CAS No. 3118-97-6) and the supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done by using Bio-concentration Factor (v12.1.0.50374) module (Advanced Chemistry Development)/I-Lab predictive module, 2017), the BCF value of the test substance 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS no. 3118 -97 -6) at pH range 0-8 was estimated to be 4878 and at pH 9, 10, 11, 12, 13 and 14 was estimated to be 4877, 4876, 4863, 4734, 3746 and 1215, respectively (Log BCF ranges from 3.1 ± 1.0 to 3.7 ± 1.0).
The bioaccumulation study from authoritative database (SRC PhysProp database, 2017) was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 1- (2, 4-dimethylphenylazo)-2-naphthol (CAS no. 3118-97-6). The BCF (bioaccumulation factor) value of 1- (2, 4-dimethylphenylazo)-2-naphthol was determined to be 11748.97 dimensionless (log BCF = 4.07).
Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS no. 3118 -97 -6)(ChemSpider, 2017). The estimated bioconcentration factor (BCF) of 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol was estimated to be 7107.84 at pH 5.5 and 7.4, respectively.
Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol (CAS No. 3118 -97 -6). The estimated bioconcentration factor (BCF) of 1-[(2,4-dimethyl phenyl)diazenyl]-2-naphthol was estimated to be 8480 at pH range 1-9 and 8470 at pH 10 (at 25 deg C), respectively.
For the read across chemical 1-[(2-methoxyphenyl)diazenyl]-2-naphthol (CAS no. 1229-55-6) from authoritative database (HSDB, 2017),bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical 1-[(2-methoxyphenyl)diazenyl]-2-naphthol. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 7.5 and a regression derived equation. The BCF (bioaccumulation factor) value of 1-[(2-methoxyphenyl)diazenyl]-2-naphthol was determined to be 290000 dimensionless.
On the basis of above results for target chemical1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol(from ACD labs,SRC PhysProp database, ChemSpider and SciFinder database,2017) and for its read across substance from HSDB, it can be concluded that the BCF value of test substance1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol ranges from 1215 –11748.97which exceeds the bioconcentration threshold of 2000, indicating that the chemical 1-[(2,4-dimethylphenyl)diazenyl]-2-naphthol is expected to bioaccumulate in the food chain.
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