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EC number: 200-625-0 | CAS number: 66-27-3
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- calculation (if not (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:
- Data is from HSDB and PubChem authorative database
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Environmental bioconcentration factor of the test substance Methyl methanesulfonate in fish was estimated using an estimated log Kow and a regression-derived equation.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Methyl methanesulfonate
- Molecular formula (if other than submission substance): C2H6O3S
- Molecular weight (if other than submission substance): 110.1324 g/mol
- Smiles notation (if other than submission substance): COS(=O)(=O)C
- InChI: 1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
- Substance type: Organic
- Physical state: Liquid - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Details on test organisms:
- No data
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Reference substance (positive control):
- not specified
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Result based on estimated log Pow of: -0.7 - Key result
- Type:
- BCF
- Value:
- 3 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- other: BCF value of Methyl methanesulfonate was estimated using an estimated log Kow and a regression-derived equation.
- Remarks on result:
- other: Non bioaccumulative
- Details on kinetic parameters:
- No data
- Metabolites:
- No data
- Results with reference substance (positive control):
- No data
- Details on results:
- No data
- Reported statistics:
- No data
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated BCF (bioaccumulation factor) of test chemical Methyl methanesulfonate was determined to be 3 dimensionless.
- Executive summary:
The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical Methyl methanesulfonate (CAS no. 66-27-3). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of -0.71 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of Methyl methanesulfonate was determined to be 3 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Methyl methanesulfonate is considered to be non-accumulative in aquatic organisms.
Reference
Description of key information
The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical Methyl methanesulfonate (CAS no. 66-27-3). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of -0.71 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of Methyl methanesulfonate was determined to be 3 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Methyl methanesulfonate is considered to be non-accumulative in aquatic organisms.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3 dimensionless
Additional information
Experimental study and various predicted data for the target compound Methyl methanesulfonate (CAS No. 66-27-3) and various supporting studies for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In an experimental key study from authoritative database (HSDB and PubChem, 2017), bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of test chemical Methyl methanesulfonate (CAS no. 66-27-3). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of -0.71 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of Methyl methanesulfonate was determined to be 3 dimensionless.
In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical Methyl methanesulfonate (CAS No. 66 -27 -3). The bioconcentration factor (BCF) of Methyl methanesulfonate was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).
In a supporting study from authoritative database (HSDB, 2017) for the read across chemical Isopropyl methanesulphonate (CAS no. 926-06-7), the bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical isopropyl methanesulphonate. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 0.25 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of isopropyl methanesulphonate was determined to be 3 dimensionless.
For the read across chemical Methanesulphonyl chloride (CAS no. 124-63-0), bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of read across chemical methanesulphonyl chloride (HSDB, 2017). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 1.3 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of methanesulphonyl chloride was determined to be 1.9 dimensionless.
On the basis of above results for target chemical Methyl methanesulfonate (from authoritative database HSDB,PubChemand EPI suite,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the BCF value of test substance Methyl methanesulfonate ranges from 3.0 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical Methyl methanesulfonate is not expected to bioaccumulate in the food chain.
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