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EC number: 204-909-5 | CAS number: 128-80-3
- 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
Biodegradation in soil
Administrative data
- Endpoint:
- biodegradation in soil, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- 1. EAWAG-BBD Pathway Prediction System
1.1 Model description
The EAWAG-BBD Pathway Prediction System (also known as Minnesota Pathway Prediction System) is a web-based tool (http://eawag-bbd.ethz.ch/predict/) and can be used free of charge.
Purpose and Scope:
The model predicts plausible pathways for microbial degradation of chemical compounds. Predictions use biotransformation rules, based on reactions found in the EAWAG-BBD database or in the scientific literature. A list of all rules is available and comprises currently 332 different pathways.
PPS predictions are most accurate for compounds that are:
• similar to compounds whose biodegradation pathways are reported in the scientific literature;
• in environments exposed to air, in moist soil or water, at moderate temperatures and pH, with no competing chemicals or toxins; and
• the sole source of energy, carbon, nitrogen, or other essential element for the microbes in these environments, rather than present in trace amounts.
There are a number of chemical classes that should not be investigated using the current version of the Pathway Prediction System. Important classes of chemicals whose biodegradation should not be predicted are listed below.
This list is based on a similar list developed for the PBT System by the Environmental Science Center under contract to the Office of Pollution Prevention and Toxics, U.S. Environmental Protection Agency.
• Readily Degraded and Selected Other Compounds
• Inorganic Chemicals
• High Molecular Weight Compounds
• Chemicals with Unknown or Variable Composition
• Mixtures
• Highly Fluorinated Compounds
1.2 Validity of the Model
The model contains currently a high number (332) of different pathways described in the scientific literature. For Solvent Violet 36 the model revealed the following theoretical pathways:
• 1-Amino-2-unsubstituted aromatic -> vic-Dihydroxyaromatic + Amine (bt0065)
• Anthrone derivative -> 2-[(2-Hydroxyphenyl)methyl]benzoate derivative (bt0418)
As a result, the high number of pathways included in the model gave relevant pathways fitting to the substance. Furthermore, the substance is not excluded from the classes of chemicals whose biodegradation should not be predicted.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The EAWAG-BBD Pathway Prediction System (also known as Minnesota Pathway Prediction System) is a web-based tool (http://eawag-bbd.ethz.ch/predict/) which predicts plausible pathways for microbial degradation of chemical compounds. Predictions use biotransformation rules, based on reactions found in the EAWAG-BBD database or in the scientific literature. A list of all rules is available and comprises currently 332 different pathways.
- GLP compliance:
- no
Test material
- Reference substance name:
- 1,4-bis(p-tolylamino)anthraquinone
- EC Number:
- 204-909-5
- EC Name:
- 1,4-bis(p-tolylamino)anthraquinone
- Cas Number:
- 128-80-3
- Molecular formula:
- C28H22N2O2
- IUPAC Name:
- 1,4-bis[(4-methylphenyl)amino]-9,10-anthraquinone
- Test material form:
- solid
- Details on test material:
- Smiles Code: Cc1ccc(cc1)Nc5ccc(Nc2ccc(C)cc2)c4c5C(=O)c3ccccc3C4(=O)
Constituent 1
Results and discussion
Half-life / dissipation time of parent compound
- Remarks on result:
- other: EAWAG prediction system gives hints on metabolic pathways and on their likelyhood. No definitive half-lifes are obtained by the prediction.
- Transformation products:
- not measured
- Details on transformation products:
- Details of possible transformation products are described in the attached full study report.
Applicant's summary and conclusion
- Conclusions:
- The outcome of the pathway prediction system is that biodegradation of Solvent Green 3 is negligible or it occurs rather slowly.
- Executive summary:
Solvent Green 3 (Macrolex Gruen 5B, CAS-No. 128-80-3) was found to be not readily biodegradable in a test according to OECD 301 series. The EAWAG-BBD Pathway Prediction System is a tool which allows prediction of microbial degradation in order to assess the behavior of the substance in the environment. The model predicts:
Primary degradation:
Oxidative cleavage of the aromatic amine “neutral”
Cleavage of the Anthrone ring system “neutral”
The model predicts that common microbial metabolisation routes can be applied for Solvent Green 3. Beside possible pathways and structure of metabolites, the model predicts a qualitative description of the routes as “very likely”, “likely” and “neutral” with neutral to be the likelihood to be expected in this case. Based on the prediction, the classification as “neutral” means that the primary degradation steps are expected to be possible but that they are not certain to occur in every system.
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