Registration Dossier
Registration Dossier
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EC number: 204-662-3 | CAS number: 123-92-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
BCF value calculated based on log Kow with BCFBAF (v3.01), the successor of BCFWIN, a software pointed out by ECHA to deliver estimates of BCF values (see: Guidance on information requirements and chemical safety assessment Chapter R.7c: Endpoint specific guidance (ECHA, May 2008)).
Key value for chemical safety assessment
- BCF (aquatic species):
- 28.1 L/kg ww
Additional information
Rationale/justification for estimation of BCF based on log Kow:
Guidance on information requirements and chemical safety assessment Chapter R.7c: Endpoint specific guidance (version 1.1, ECHA, Nov 2012):
"R.7.10.5 Conclusions for aquatic bioaccumulation
...
PRELIMINARY ANALYSIS OF BIOACCUMULATION POTENTIAL:
... make a preliminary analysis of the bioaccumulation potential of the substance (and degradation products/metabolites, if relevant):
- Examine information on log Kow. Does this suggest a potential for bioaccumulation at environmentally relevant pH (i.e. Kow > 3)?
If so, then:
- If log Kow < 6, estimate a preliminary BCF according to a linear model (e.g. Veith et al. (1979) and Meylan et al. (1999)). ..."
"R.7.10.9.1 Available information on terrestrial bioaccumulation
...
(Q)SAR MODELS
...
In cases where the Kow is not a good indicator of bioconcentration (e.g. for ionic organic substances, metals or other substances that do not preferentially partition to lipids), either an alternative model for that specific substance or class of substances should be used, or an empirical BCF estimated from structural analogues. ..."
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Remark author IUCLID data set:
The Kow is regarded as a good indicator for the BCF of isopentyl acetate because the substance is not ionic or a metal. Isopentyl acetate does not partition to lipids but if it hydrolyses (to acetic acid and 3-methyl-1-butanol), these substances will be more water soluble than isopentyl acetate and the BCF would thus be lower than for isopentyl acetate.
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