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Diss Factsheets
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EC number: 240-343-5 | CAS number: 16215-21-7
- 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
Endpoint summary
Administrative data
Key value for chemical safety assessment
- Toxic effect type:
- dose-dependent
Effects on fertility
Description of key information
No effects on fertility were noted in a screening study conducted according to OECD TG 422 with the methyl ester of 3-mercaptopropionic acid.
Link to relevant study records
- Endpoint:
- screening for reproductive / developmental toxicity
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Justification for type of information:
- This scenario covers the category approach for which the read-across hypothesis is based on biotransformation to common compounds. 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 effect(s) forming a regular pattern. The prediction is based either on this regular pattern within the category, when the members are ordered by a variable related to the structural differences in the category or is based on a worst-case approach.
The read-across is a category approach based on the hypothesis that the substances in this category are transformed to a common compound. This approach serves to use existing data on acute toxicity, repeated-dose toxicity, and reproductive toxicity endpoints for substances in this category.
There are differences in strength of the effects forming a regular pattern. This corresponds to Scenario 3 of the RAAF. The substances MMP, BuMP, EHMP, iOMP, iC13MP, and ODMP are esters of a common acid, 3-mercaptopropionic acid (3-MPA). They are likely to be rapidly hydrolysed to 3-mercaptopropionic acid and the respective alcohol (i.e. methanol, butanol, ethylhexanol, iso-octanol, iso-tridecanol, and octadecanol). In vitro studies on hydrolysis/metabolism are planned to strengthen the hypothesis.
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 common compound 3-mercaptopropionic acid, whereas the alcohols do not contribute to a relevant extent to overall toxicity.
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.
For details, please refer to the category document attached to Iuclid section 13. - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across: supporting information
- Species:
- rat
- Route of administration:
- oral: gavage
- Key result
- Dose descriptor:
- NOAEL
- Effect level:
- >= 135 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: no adverse effects (reproductive parameters))
- Remarks on result:
- other: correction for difference in molecular weight
- Key result
- Dose descriptor:
- NOAEL
- Generation:
- F1
- Effect level:
- >= 135 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: no adverse effects (reproductive parameters)
- Remarks on result:
- other: correction for difference in molecular weight
- Key result
- Reproductive effects observed:
- no
- Conclusions:
- A NOEL (No Observed Effect Level) for reproduction/developmental toxicity of 100 mg/kg/day was determined for MMP in a study according to OECD 422. Based on the category approach, BuMP is considered to show similar effects. Therefor, the reproduction/developmental toxicity NOEL of BuMP, corrected for differences in molecular weight, was determined to be 135 mg/kg bw/day.
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.
Reference
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 135 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- The available key studies are reliable or reliable with restrictions (Klimisch 1 – 2) and were conducted according to or similar to guidelines.
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Additional information
No experimental data are available for the target substance BuMP. A Combined Repeated Dose Toxicity Study with the Reproduction/Developmental Toxicity Screening Test was conducted with MMP. A justification for read-across is attached to Iuclid section 13.
The test item was administered in corn oil as vehicle at dosages of 25, 50, and 100 mg/kg body weight/day, and controls received the vehicle only. The test item was administered to male rats for at least 28 days and to female rats for 14 days prior to pairing, through the pairing and gestation periods until the F1 generation reached day 4 post partum. Administration of 50 and 100 mg/kg/day resulted in dose-dependently increased liver weights relative to body weights and brain weights in males. In the absence of a histopathological correlation these higher weights were considered to be of no adverse character. Furthermore at 100 mg/kg/day, a minimal to slight hyperplasia of the forestomach squamous epithelium was noted in males and females. Based on these results a general NOAEL (No Observed Adverse Effect Level) was established at 50 mg/kg body weight/day. The NOEL (No Observed Effect Level) for reproduction/developmental toxicity was considered to be 100 mg/kg/day.
After correcting for differences in molecular weight, the NOAEL for BuMP was calculated as 135 mg/kg bw/d.
Effects on developmental toxicity
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based on the available data no classification for toxicity to reproduction is required according to regulation (EC) 1272/2008.
Additional information
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.