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Diss Factsheets
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EC number: 203-537-0 | CAS number: 107-96-0
- 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

Endpoint summary
Administrative data
Link to relevant study record(s)
- Endpoint:
- dermal absorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: QSAR estimations from dermal absorption tend to be conservative; however, they are not formally validated
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- The Danish QSAR Database reports DERMWINv.2 calculations. These are based on the Guy & Potts formula (GUY R.H. AND POTTS R.O., 1992. Structure-Permeability Relationships in Percutaneous absorption. J. Pharm. Sci.. 81: 603-604).
- Conclusions:
- MPA is predicted to have significant dermal absorption potential. SInce MPA is highly corrosive, dermal exposure must be prevented by suitable protective garment.
- Endpoint:
- basic toxicokinetics in vitro / ex vivo
- Remarks:
- plasma protein binding
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Principles of method if other than guideline:
- Because of the chemical properties of PETMP and 3-MPA it was necessary to develop two separate LC-MS/MS methods. The run time is for both methods < 10 minutes. The working range for PETMP is 10 – 1000 ng/mL and for 3-MPA 50 – 1000 ng/mL.
- GLP compliance:
- no
- Remarks:
- preliminary study
- Conclusions:
- The aim of this study was the method development for the determination of PETMP and its metabolite 3-MPA in rat plasma by LC-MS/MS. For this purpose, at first a LC-MS/MS method was developed for both analytes and two different protein precipitation methods were tested for the extraction.
The analysis for both components PETMP (main component) and 3-MPA (hydrolysis product) can not be conducted with one LC-MS/MS method. Extraction experiments indicate the sorption of both analytes to plasma proteins which would also occur in the organism. Strong protein binding is postulated (e.g. to cysteine) and well known for substances with mercapto-groups. - Endpoint:
- basic toxicokinetics
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Expert judgement is combined with the prediction of metabolism provided by the OECD QSAR Application Toolbox.
- Objective of study:
- toxicokinetics
- Principles of method if other than guideline:
- No guideline exists for this type of appraisal.
- GLP compliance:
- no
- Species:
- other: not applicable
- Details on test animals or test system and environmental conditions:
- not applicable
- Route of administration:
- other: oral and dermal route are considered
- Details on exposure:
- not applicable
- Details on absorption:
- MPA is predicted to be moderately bioavailable (50%) via the oral route and readily absorbed via skin.
- Details on distribution in tissues:
- MPA and its metabolites are very polar and are predicted to have no accumulation potential. They are expected to be enter the urine shortly after systemic absorption.
- Details on excretion:
- MPA as well as the oxidised metabolites are very polar and will be excreted rapidly via urine. Faecal excretion is not expected.
- Metabolites identified:
- not measured
- Details on metabolites:
- MPA is expected to undergo stepwise oxidation of the thiol group yielding 3-sulfinopropanoic acid and 3-sulfopropanoic acid. Both substances are very polar and thus subject to renal elimination.
In addition, disulphide bridge formation with cysteine or with another MPA molecule may occur. - Conclusions:
- Interpretation of results: no bioaccumulation potential based on study results
MPA is predicted to be moderately bioavailable (50%) via the oral route and readily absorbed via skin.
MPA is expected to undergo stepwise oxidation of the thiol group and also disulphide bridge formation with cysteine or with another MPA molecule.
MPA and its metabolites are very polar and thus subject to renal elimination. Tissue accumulation can be excluded. - Executive summary:
- The toxicokinetic behaviour of MPA
[3-mercaptopropionic acid] was assessed. The OECD QSAR Application Toolbox
was used to make a qualitative prediction of metabolites formed in liver,
skin and gastrointestinal tract.
The Danish QSAR Database was used to predict dermal and oral bioavailability of MPA.
The fate of these metabolites is predicted on the basis of their chemical structure based on expert judgement.
MPA is predicted to be moderately bioavailable (50%) via the oral route and readily absorbed via skin.
MPA is expected to undergo stepwise oxidation of the thiol group yielding 3-sulfinopropanoic acid and 3-sulfopropanoic acid. Both substances are very polar and thus subject to renal elimination.
In addition, disulphide bridge formation with cysteine or with another MPA molecule may occur.
Tissue accumulation can be excluded.
Referenceopen allclose all
Description of key information
Short description of key information on bioaccumulation potential result:
MPA is predicted to be moderately bioavailable (50%) via the oral route and readily absorbed via skin.
MPA is expected to undergo stepwise oxidation of the thiol group and also disulphide bridge formation with cysteine or with another MPA molecule. MPA and its metabolites are very polar and thus subject to renal elimination. Tissue accumulation can be excluded.
Key value for chemical safety assessment
Additional information
Absorption
Oral absorption of MPA is predicted to be moderate. The Danish QSAR database predicts an oral absorption of 50% following a dose of 1 mg.
The Danish QSAR database predicts a high dermal absorption of 0.089 mg/cm²/event. It is noteworthy that MPA is highly corrosive, so that contact with skin must be thoroughly prevented.
Distribution
MPA and its predicted oxidation products are very polar and are predicted to have no accumulation potential. They are expected to enter the urine shortly after systemic absorption.
Metabolism
MPA will undergo enzymatic and non-enzymatic ester oxidation of its thiol group. This is a stepwise process. It is predicted that MPA can also be oxidised to form disulphide bridges either with itself (dimerisation) or with cysteine, either in glutathione or in proteins. The latter process may promote skin sensitisation.
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