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Diss Factsheets
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EC number: 205-027-3 | CAS number: 131-54-4
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-08-01
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
OPEn saR App (US EPA, 2016)
2. MODEL (incl. version number)
OPERA v.1.02
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
COC1=CC=C(C(=O)C2=CC=C(OC)C=C2O)C(O)=C1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QMRF report
5. APPLICABILITY DOMAIN
Please refer to the attached QPRF report
Data source
Reference
- Reference Type:
- other: estimation software
- Title:
- Unnamed
- Year:
- 2 016
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSAR R.6
- Principles of method if other than guideline:
- -- Software tool(s) used including version: OPERA V1.02, PaDEL descriptors V2.21, MATLAB
- Model(s) used: OPEn saR App (QSAR model using PaDEL descriptors)
- Model description: see field 'Justification for non-standard information' and 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information' and 'Attached justification' - GLP compliance:
- no
- Remarks:
- not applicable for QSAR predictions
- Type of method:
- other: QSAR prediction according to Venetian blinds method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2,2'-dihydroxy-4,4'-dimethoxybenzophenone
- EC Number:
- 205-027-3
- EC Name:
- 2,2'-dihydroxy-4,4'-dimethoxybenzophenone
- Cas Number:
- 131-54-4
- Molecular formula:
- C15H14O5
- IUPAC Name:
- 2-(2-hydroxy-4-methoxybenzoyl)-5-methoxyphenol
Constituent 1
- Specific details on test material used for the study:
- not applicable
Study design
- Analytical method:
- other: see "Remars"
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.1
- Remarks on result:
- other: see "Remarks"
- Remarks:
- The log Pow was predicted to be 4.1 by the QSAR model OPERA V1.02 (US EPA, 2016). No data are available for Temperature and pH.
Applicant's summary and conclusion
- Conclusions:
- An octanol-water partition coefficient (log Pow) of 4.1 was calculated for 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone by the QSAR tool OPERA V1.02 (US EPA, 2016).
- Executive summary:
The octanol-water partition coefficient (log Pow) was calculated for 2,2'-Dihydroxy-4,4'-dimethoxybenzophenone using the QSAR tool OPERA V1.02. The LogPow was calculated to be 4.1.
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.
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