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EC number: 206-117-5 | CAS number: 302-17-0
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from EPI suite modeling database
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- BCFBAF Program (v3.00)
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material: 2,2,2-Trichloroethane-1,1-diol (Chloral hydrate)
- Molecular formula: C2-H3-Cl3-O2
- Molecular weight: 165.4026g/mol
- Smiles notation: C(C(O)O)(Cl)(Cl)Cl
- InChl: RNFNDJAIBTYOQL-UHFFFAOYSA-N
- Substance type: Organic
- Physical state: Solid - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- not specified
- Reference substance (positive control):
- not specified
- Key result
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.
- Executive summary:
The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.
Reference
BCFBAF Program (v3.01) Results:
==============================
SMILES : OC(O)C(CL)(CL)CL
CHEM : 1,1-Ethanediol, 2,2,2-trichloro-
MOL FOR: C2 H3 CL3 O2
MOL WT : 165.40
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0649 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.21 (BAF = 1.63 L/kg wet-wt)
Log Kow (experimental): 0.99
Log Kow used by BCF estimates: 0.99
Equation Used to Make BCF estimate:
Log BCF = 0.50
Correction(s): Value
Correction Factors Not Used for Log Kow < 1
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
Description of key information
The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
The estimated bioconcentration factor (BCF) for 2,2,2-trichloroethane-1,1-diol is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 2,2,2-trichloroethane-1,1-diol is not expected to bioaccumulate in the food chain.
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