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Diss Factsheets
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EC number: 202-940-9 | CAS number: 101-41-7
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- Expert Statement
- Type of information:
- other: Expert Statement
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Expert Statement, no study available
Data source
Reference
- Reference Type:
- other: Expert Statement
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
- Objective of study:
- absorption
- distribution
- excretion
- metabolism
- Principles of method if other than guideline:
- Expert statement
- GLP compliance:
- no
Test material
- Reference substance name:
- Methyl phenylacetate
- EC Number:
- 202-940-9
- EC Name:
- Methyl phenylacetate
- Cas Number:
- 101-41-7
- Molecular formula:
- C9H10O2
- IUPAC Name:
- methyl phenylacetate
Constituent 1
Test animals
- Details on test animals or test system and environmental conditions:
- not applicable
Administration / exposure
- Duration and frequency of treatment / exposure:
- not applicable
- Positive control reference chemical:
- not applicable
- Details on study design:
- not applicable
- Details on dosing and sampling:
- not applicable
- Statistics:
- not applicable
Results and discussion
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- Generally, oral absorption is favoured for molecular weights below 500 g/mol. Furthermore, the relatively high water solubility of 923 mg/L enables the substance to readily dissolve in the gastrointestinal fluids, allowing direct uptake into the systemic circulation through aqueous pores or via carriage of the molecules across membranes with the bulk passage of water. The moderate log Pow value is favourable for passive diffusion. Taken together, the physiochemical properties indicate that methyl phenylacetate becomes bioavailable following the oral route. This assumption is confirmed by the results of the acute toxicity studies. These results did not lead to classification of the substance, but at least mortality was observed in doses from 2560 mg/kg bw onwards.
Due to the low vapour pressure of methyl phenylacetate it is unlikely that the substance will be available as a vapour, but if it is the case absorption via inhalation route is possible due to the water solubility and the moderate log Pow value, enabling uptake directly across the respiratory tract epithelium by passive diffusion.
Dermal uptake is favoured for substances with a molecular weight < 100 g/mol and log Pow values between 1 and 4. Dermal absorption will therefore take place, favoured by the water solubility and the log Pow value. The log Pow is 1.91 and therefore lies in the range between -1 and 4, although it is <2 and therefore not in the optimal range. The molecular weight of the substance is above 100 g/mol, but still small enough to penetrate skin. Indeed, mortality was observed in the acute dermal toxicity study with rabbits, leading to an LD50 of 2400 mg/kg bw. - Details on distribution in tissues:
- As mentioned above, the physicochemical properties of methyl phenylacetate favour systemic absorption following oral, inhalative and dermal uptake.
Direct transport through aqueous pores is likely to be an entry route to the systemic circulation. In general, the smaller the molecule, the wider the distribution. Taken into account the log Pow and the water solubility, accumulation of methyl phenylacetate is unlikely. The available study data revealed no indications of the substance to cross the blood-brain barrier.
- Details on excretion:
- The metabolites of methyl phenylacetate are most likely excreted via urine due to their small molecular weight (below 300 g/mol) and their good water solubility.
Metabolite characterisation studies
- Details on metabolites:
- Based on the results received from in vitro Chromosome Aberration test and HPRT test it can be assumed that the structural analogue ethyl phenylacetate is detoxified during the metabolism as the parent compound showed higher cytotoxicity compared to the metabolically modified substance. Due to their structural similarity the same is anticipated for methyl phenylacetate. Metabolism mainly occurs in liver especially following oral intake.
Methyl phenylacetate may be cleaved into the benzeneacetic acid and methanol catalyzed by esterases. Afterwards, benzeneacetic acid could be glucuronised or sulfononated by the glucuronosyltransferase or sulfotransferase, respectively, to enhance the hydrophilicity and to facilitate the elimination.
Methanol is slowly converted to formaldehyde by alcohol dehydrogenase, then rapidly to formic acid by formaldehyde dehydrogenase in the liver. Formic acid also occurs as endogenous metabolic intermediate. Some of the formic acid is oxidized via the tetrahydrofolate system to form carbon dioxide which is exhaled; the rest is eliminated unchanged with the urine.
Applicant's summary and conclusion
- Conclusions:
- Bioaccumulation of the test substanceis not considered critical based on expert statement.
- Executive summary:
Based on physicochemical characteristics, particularly water solubility and octanol-water partition coefficient, absorption by the dermal, oral and inhalation route is expected. This assumption is further supported by the results of the oral and dermal acute toxicity studies, revealing some effects at very high doses (above 2000 mg/kg bw). Bioaccumulation of methyl phenylacetate or its breakdown products methanol or benzeneacetic acid will not occur. After enzymatic conversion the metabolites will be mainly renally excreted.
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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