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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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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.

BCF estimate of 3.162

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.

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)

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

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.)

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.

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.