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Diss Factsheets
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EC number: 222-774-0 | CAS number: 3608-67-1
- 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
Biodegradation in water: screening tests
Administrative data
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- A scientific and endpoint specific (Q)SAR model (with relevance and reliability; substance fall within the domain etc.) is the EPI BIOWIN model, summarized in and published by Danish (Q)SAR-Database and OECD QSAR Toolbox v.4.1; accepted by ECHA. Data of this model should be therefore been accepted for classification and labelling, for risk assessments and for PBT assessment.
Data source
Reference
- Reference Type:
- publication
- Title:
- Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk
- Author:
- Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark
- Year:
- 2 018
- Bibliographic source:
- Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk
- Report date:
- 2018
Materials and methods
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI BIOWIN v4.10
- GLP compliance:
- no
Test material
- Reference substance name:
- 1-methyl-4-piperidyl diphenylglycolate
- EC Number:
- 222-774-0
- EC Name:
- 1-methyl-4-piperidyl diphenylglycolate
- Cas Number:
- 3608-67-1
- Molecular formula:
- C20H23NO3
- IUPAC Name:
- 1-methylpiperidin-4-yl 2-hydroxy-2,2-diphenylacetate
Constituent 1
- Specific details on test material used for the study:
- SMILES (used for QSAR prediction): C(=O)(C(O)(c1ccccc1)c1ccccc1)OC1CCN(C)CC1
Results and discussion
% Degradation
- Key result
- Remarks on result:
- other: predicted
- Remarks:
- Software tool(s) used including version: EPI BIOWIN v4.10
Any other information on results incl. tables
File |
Result |
Remarks Applicant |
Biowin1 (linear model) Probability of Rapid Biodegradation |
0.6338 |
> 0.5 rapid ;cut off range 0.4 – 0.6; uncertain; not reliable |
Biowin2 (non-linear model) Probability of Rapid Biodegradation |
0.8928 |
> 0.5 rapid ;cut off range 0.4 – 0.6; uncertain; not reliable |
Biowin3 Expert Survey Ultimate Biodegradation |
2.1974 |
aerobic biodegradation in months; hints for persistency |
Biowin3 Expert Survey Ultimate Timeframe |
months |
|
Biowin4 Expert Survey Primary Biodegradation |
3.1755 |
hints for persistency |
Biowin4 Exp. Survey Primary Timeframe |
weeks |
|
Biowin5 (MITI linear model) Biodegradation Probability |
0.2445 |
< 0.5 not readily biodegradable; reliable |
Biowin6 (MITI non-linear model) Biodegradation Probability |
0.056 |
< 0.5 not readily biodegradable ; reliable |
Biowin7 (Anaerobic Linear) Biodegradation Probability |
-1.4393 |
< 0.5 slow; reliable |
Applicant's summary and conclusion
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- Based on the predicted data by BIOWIN models 1-methyl-4-piperidyl diphenylglycolate is “not readily biodegradable”.
- Executive summary:
Normally a screening test for the determination of the endpoint „Biodegradation“ (e.g. acc. to regulation no. 440/2008/EC methods C.4-series; resp. to OECD301-series) would be required.
An adaption of the standard testing regime is possible (e. g. by “data waiving”), if the test does not appear scientifically necessary and other information are available. One possibility in this case is to provide data by a valid (Q)SAR model (Annex XI, 1.3 to REACH).
The different files of the Biodegradation Probability Program for Windows (BIOWIN) calculate the probability that a chemical under aerobic conditions with mixed cultures of microorganisms will biodegrade rapidly or slowly and predict the criteria “not readily biodegradable” more certain than the criteria “readily biodegradable” and provide additionally predictions for identifying persistant substances.
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.