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EC number: 250-801-6 | CAS number: 31778-15-1
- 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
Endpoint summary
Administrative data
Description of key information
Based on the category hypothesis and the presence of one thiol group, ODMP should be classified as Skin Sens 1B.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Justification for type of information:
- There are no relevant variations in qualitative properties among source substances and the same potency is predicted for all target substances. This is Scenario 4 of the RAAF1. Substances MMP, BuMP, EHMP, iOMP, iC13MP, and ODMP are different alkyl esters of a common acid, 3-mercaptopropionic acid (3-MPA).
This scenario covers the category approach for which the read-across hypothesis is based on the assumption, that toxicity of compounds in this category are driven by a common toxophore. This approach serves to use existing data on genotoxicity, acute toxicity, repeated-dose toxicity and reproductive toxicity endpoints for substances in this category. For the REACH information requirement under consideration, the property investigated in studies conducted with different source substances is used to predict the property that would be observed in a study with the target substance if it were to be conducted. Similar properties are observed for the different source substances; this may include absence of effects for every member of the category.
There are differences in strength of the effects forming a regular pattern. This corresponds to Scenario 4 of the RAAF. The substances MMP, BuMP, EHMP, iOMP, iC13MP, and ODMP are esters of a common acid, 3-mercaptopropionic acid (3-MPA). All category members share the same mercaptopropionic acid moiety with one free SH group per MPA unit. The MPA unit with free SH is a prerequisite for this category.
The observed differences in effect levels (higher effect levels with increasing carbon chain length were observed in the available acute oral toxicity studies) are assumed to be mainly due to differences in molecular weight (corrections will be made for these differences) and decreasing bioavailability with increasing carbon chain length (no corrections are made for this effect; a worst-case approach is applied here, since based on the available data no exact quantification for bioavailability differences is possible at the moment).
It can be predicted with high confidence that the substances within this category will lead to the same type of effects. The main driver for toxicity is the free SH group of the MPA moiety.
Beside structural similarities and the common toxophore, the MPA moiety, category members are also likely to have similar metabolites. As explained in the Toxicokinetics section, substances are predicted to be rapidly hydrolysed into 3-MPA and the respective alcohol after absorption. According to low toxicity of the corresponding alcohols (Table 8), this would support the role of the MPA moiety as toxophore, as well as propose scenario 3 of the RAAF as applicable for this category approach. However, no experimental toxicokinetic data to support this hypothesis are available by now. To proof this hypothesis, simulated gastric acid hydrolysis studies, as well as in-vitro metabolism studies using liver microsomes will be conducted. Based on the results of these studies, scenario selection will be revaluated. - Reason / purpose for cross-reference:
- read-across: supporting information
- Reason / purpose for cross-reference:
- read-across source
- Parameter:
- SI
- Value:
- 5.1
- Variability:
- ±1.6
- Test group / Remarks:
- 12.5%
- Parameter:
- SI
- Value:
- 5.6
- Variability:
- ±2.9
- Test group / Remarks:
- 25%
- Parameter:
- SI
- Value:
- 9.5
- Variability:
- ±2.7
- Test group / Remarks:
- 50%
- Parameter:
- EC3
- Remarks on result:
- other: linear extrapolation
- Interpretation of results:
- Category 1B (indication of skin sensitising potential) based on GHS criteria
- Conclusions:
- Considering the reported data of this sensitization test, it can be stated that the test article Isooctyl mercaptopropionate causes reactions identified as sensitization, as the stimulation index was above 3.0 for each concentration tested. Based on the category approach, ODMP is considered as skin sensitizer and has to be classified as Skin Sens. 1B
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
Compounds with free SH groups are widely known to be skin sensitizers. iOMP has displayed a moderate skin sensitising potency in an LLNA with an EC3 of 8.2%. The other compounds in this category are assumed to be of similar potency since they also have one free SH group per molecule.
As Toxikokinetic literature data indicate that after absorption rapid ester hydrolysis accurs to all category members, toxicokinetic in vitro studies are planned to gain better insight on toxicokinetic properties of the substances. Depending on the results of metabolism and simulated gastric acid hydrolysis studies, scenario selection will be revaluated.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
In an LLNA study with the surrogate substance iOMP an EC>3 was observed. Based on the category approach same effects are predicted for ODMP. Therefore, ODMP is classified as Skin Sens. 1B.
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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