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EC number: 229-792-8 | CAS number: 6737-68-4
- 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
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Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.4 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 1,4-bis[(2-methylphenyl)amino]anthraquinone
- Molecular formula : C28H22N2O2
- Molecular weight : 418.494 g/mol
- Smiles notation : c1cc2C(=O)c3c(C(=O)c2cc1)c(Nc1ccccc1C)ccc3Nc1c(cccc1)C
- InChl : 1S/C28H22N2O2/c1-17-9-3-7-13-21(17)29-23-15-16-24(30-22-14-8-4-10-18(22)2)26-25(23)27(31)19-11-5-6-12-20(19)28(26)32/h3-16,29-30H,1-2H3
- Substance type : Organic
- Physical state : Solid - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Based on:
- not specified
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: BOD
- Value:
- 0.2
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 0.2% degradation by BOD in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The test chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be not readily biodegradable in water.
- Executive summary:
Biodegradability of 1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS no. 6737 -68 -4) is predicted using QSAR toolbox version 3.4 with logKow as the primary descriptor. Test substance undergoes 0.2% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone was estimated to be not readily biodegradable in water.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" )
and "c" )
and "d" )
and ("e"
and "f" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Michael-type
addition, quinoid structures AND AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes AND Non-covalent
interaction AND Non-covalent interaction >> DNA intercalation AND
Non-covalent interaction >> DNA intercalation >> Quinones and
Trihydroxybenzenes AND Radical AND Radical >> Radical mechanism via ROS
formation (indirect) AND Radical >> Radical mechanism via ROS formation
(indirect) >> Quinones and Trihydroxybenzenes by DNA binding by OASIS
v.1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Michael-type
addition to quinoid structures AND AN2 >> Michael-type addition to
quinoid structures >> N-Substituted Aromatic Amines by Protein binding
by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 1) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as months and longer by Biodeg
ultimate (Biowin 3) ONLY
Domain
logical expression index: "e"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 405
Da
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 627
Da
Description of key information
Biodegradability of1,4-bis[(2-methylphenyl)amino]anthraquinone(CAS no. 6737 -68 -4) is predicted using QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. Test substance undergoes 0.2% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical1,4-bis[(2-methylphenyl)amino]anthraquinonewas estimated to be not readily biodegradable in water.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Various predicted data for the target compound 1,4-bis[(2-methylphenyl)amino]anthraquinone (CAS No. 6737-68-4) and supporting weight of evidence studies for its structurally similar read across substance were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemical 1,4 -bis[(2 -methylphenyl) amino]anthraquinone(CAS No. 6737 -68 -4) was estimated.Test substance undergoes 0.2% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical1,4-bis[(2-methylphenyl)amino]anthraquinonewas estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound1,4-bis[(2-methylphenyl)amino]anthraquinone(CAS No. 6737-68-4) in the presence of mixed populations of environmental microorganisms was estimated.The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical1,4-bis[(2-methylphenyl)amino]anthraquinoneis expected to be not readily biodegradable.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical Alizarin Cyanin Green F (CAS no. 4403-90-1), biodegradation experiment was conducted for 5 days for evaluating the percentage biodegradability of read across substance Alizarin Cyanin Green F (CAS no. 4403-90-1) using 5 day BOD test under aerobic conditions. Sewage sludge was used as a test inoculum. Initial test substance conc. used in the study was 2.5 mg/l. The percentage degradation of substance Alizarin Cyanin Green F was determined to be 0% by BOD parameter in 5 days. Thus, based on percentage degradation, Alizarin Cyanin Green F is considered to be not readily biodegradable in nature.
Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance 7,12-dihydrotetraphene-7,12-dione (CAS no. 2498-66-0) (J-CHECK, 2017 and EnviChem, 2014). The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I). Activated sludge was used as a test inoculums for the study. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of substance 7,12 -dihydrotetraphene-7,12 -dione was determined to be 1 and 3% by BOD and HPLC parameter in 28 days. Thus, based on percentage degradation, 7,12 -dihydrotetraphene-7,12 -dione is considered to be not readily biodegradable in nature.
For the read across chemical 1-N,4-N-diphenylbenzene-1,4-diamine (CAS no. 74-31-7) from authoritative database (J-CHECK and HSDB, 2017 & EnviChem, 2014), biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance 1-N,4-N-diphenylbenzene-1,4-diamine. The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)) under aerobic conditions. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of substance 1-N,4-N-diphenylbenzene-1,4-diamine was determined to be 0.2 and 0.3% by BOD and GC parameter in 14 days. Thus, based on percentage degradation,1-N,4-N-diphenylbenzene-1,4-diamine is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical 1,4-bis[(2-methylphenyl)amino]anthraquinone (from OECD QSAR toolbox version 3.4 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK, HSDB and EnviChem), it can be concluded that the test substance 1,4-bis[(2-methylphenyl)amino]anthraquinone can be expected to be not readily biodegradable in nature.
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