Registration Dossier
Registration Dossier
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 620-097-9 | CAS number: 54299-17-1
- 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 (IUPAC name): 1,4-phenylene bis[(4-phenoxyphenyl)-methanone]
- Molecular formula: C32H22O4
- Molecular weight: 470.5218 g/mol
- Smiles : c1ccc(cc1)Oc2ccc(cc2)C(=O)c3ccc(cc3)C(=O)c4ccc(cc4)Oc5ccccc5
- InChI : 1S/C32H22O4/c33-31(25-15-19-29(20-16-25)35-27-7-3-1-4-8-27)23-11-13-24(14-12-23)32(34)26-17-21-30(22-18-26)36-28-9-5-2-6-10-28/h1-22H
- 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:
- 4 494 347 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- other: no data
- Remarks on result:
- other: BCF reported at pH range 1-14, respectively.
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using Bio-concentration Factor module Bio-concentration Factor of the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] was estimated to be 4494347 at pH range1-14, respectively.
- Executive summary:
Using Bio-concentration Factor module Bio-concentration Factor of the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS no. 54299 -17 -1) was estimated to be 4494347 at pH range 1-14, respectively. This value indicates that the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] was considered to be very bioaccumulative in aquatic organisms.
Reference
Description of key information
Using Bio-concentration Factor module Bio-concentration Factor of the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS no. 54299 -17 -1) was estimated to be 4494347 at pH range 1-14, respectively (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)). This value indicates that the test substance 1,4-phenylene bis[(4-phenoxyphenyl)- methanone] was considered to be very bioaccumulative in aquatic organisms.
Key value for chemical safety assessment
- BCF (aquatic species):
- 4 494 347 dimensionless
Additional information
Various predicted data for the target compound 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299-17-1) and supporting weight of evidence study for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done by using Bio-concentration Factor module (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)), Bio-concentration Factor of the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS no. 54299 -17 -1) was estimated to be 4494347 at pH range 1-14, respectively. This value indicates that the test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] was considered to be very bioaccumulative in aquatic organisms.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) for predicting the bioconcentration factor (BCF) of test chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (CAS No. 54299 -17 -1). The bioconcentration factor (BCF) of 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] was estimated to be 1000000 at pH range 1-10 respectively (at 25 deg C) which exceeds the bio concentration threshold of 5000, indicating that the chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] is expected to very bioaccumulate in the food chain.
In a supporting weight of evidence study from authoritative database (2018) for the test item,the bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a measured water solubility of 0.0179 mg/l and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 5900 dimensionless, which exceeds the bioconcentration threshold of 5000, indicating that the test chemical is considered to be very bioaccumulative in aquatic organisms.
On the basis of above results for target chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] (from modelling databases,2017), it can be concluded that the BCF value of test substance 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] ranges from 1000000 –4494347 which exceeds the bioconcentration threshold of 5000, indicating that the chemical 1,4-phenylene bis[(4-phenoxyphenyl)-methanone] is expected to very bioaccumulate in the food chain.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
