Registration Dossier
Registration Dossier
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EC number: 200-835-2 | CAS number: 75-05-8
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Remarks:
- Estimated via US EPA BCFWIN software (v2.17)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Model cited in R.7 guidance
- Principles of method if other than guideline:
- BCFWIN v2.17 Model
- GLP compliance:
- no
- Key result
- Type:
- BCF
- Value:
- 3.162 L/kg
- Remarks on result:
- other: based on the experimental log Kow of -0.34.
- Executive summary:
US EPA BCFWIN software (v2.17) generated an estimated BCF of 3.162 for acetonitrile based on the experimental log Kow of -0.34.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- Data source cited in R.7 guidance.
- Principles of method if other than guideline:
- No information available. Review article source
- GLP compliance:
- not specified
- Remarks:
- Review article source
- Type:
- BCF
- Value:
- 3 L/kg
- Remarks on result:
- other: calculated for acetonitrile using a log Kow of -0.34 and a regression-derived equation.
- Executive summary:
An estimated BCF of 3 was calculated for acetonitrile using a log Kow of -0.34 (Hansch, 1995) and a regression-derived equation (Meylan, 1999)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- Widely recognized sources.
- Principles of method if other than guideline:
- Calculated based on Log Kow.
- GLP compliance:
- not specified
- Test organisms (species):
- other: calculated
- Type:
- BCF
- Value:
- 0.3 - 0.4 L/kg
- Executive summary:
A bioconcentration factor for fish of 0.3 l/kg was calculated by Howard, 1993 using the log Pow = -0.34 value of Leo, 1971 and regression equations defined in Lyman et al (1982). This bioconcentration factor is in agreement with other calculated values which are in the range of 0.3-0.4 (EPA; 1991). These values, in combination with low KOC values and high water solubility indicate that bioconcentration in aquatic organism is unlikely to be an important factor in the environmental fate of acetonitrile.
Referenceopen allclose all
BCF estimate of 3.162
An estimated BCF of 3 was calculated for acetonitrile using a log Kow of -0.34 (Hansch, 1995) and a regression-derived equation (Meylan, 1999)
In the case of the value log BCF = 0.87, it would appear this should be BCF = 0.87 (derived from the equation of Neely et al., and using a log Pow value of - 0.340.
(BCF = 0.3 would be equivalent to log BCF = - 0.52.)
Description of key information
No experimental data on bioaccumulation are available for acetonitrile. Calculated values based on Kow are in the range of 0.3 - 0.4. A BCF value of 3.162 was estimated via the BCFWIN (v2.17) QSAR, based on the experimental log Kow value of -0.34. Based on these results, low Kow values and high water solubility very low bioaccumulation potential is expected.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
An estimated BCF of 3 was calculated for acetonitrile using a log Kow of -0.34 (Hansch, 1995) and a regression-derived equation (Meylan, 1999). This bioconcentration factor is in agreement with other calculated values which are in the range of 0.3-0.4 (EPA; 1991). These values, in combination with low KOC values and high water solubility indicate that bioconcentration in aquatic organism is unlikely to be an important factor in the environmental fate of acetonitrile.
US EPA BCFWIN software (v2.17) generated an estimated BCF of 3.162 for acetonitrile based on the experimental log Kow of -0.34.
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