Registration Dossier
Registration Dossier
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EC number: 203-079-1 | CAS number: 103-09-3
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Significant accumulation of 2 -ethylhexyl acetate in organisms is not to be expected.
Key value for chemical safety assessment
Additional information
The 1-octanol/water partition coefficient of 2 -ethylhexyl acetate was measured to be 4.2 [BASF AG, 1995]. Based on this information, accumulation in organisms cannot be excluded. However, predictions of the BCF using several QSAR estimations result in relatively low values between 7.08 and 292 [BASF SE, 2014]. Therefore, significant accumulation in organisms is not expected.
In a weight of evidence approach, several QSAR models were used to assess the potential of the registration item to bioaccumulate in organisms.
Input information used to run the series of QSAR estimations were: SMILES O=C(OCC(CCCC)CC)C logKow = 4.2 (measured)
Since bioaccumulation is also influenced by other factors than the log KOW, the OASIS Catalogic v5.11.15 BCF base-line model v.02.08 takes several mitigating factors into consideration when deriving the BCF. According to the output, the most important mitigating factor for the registration item is metabolism. In total – and taking mitigating factors into account – the BCF was estimated to be 7.08.
According to the BCFBAF v3.01 model of EPI Suite v4.11, the BCF for the registration item is 202.4 The VEGA BCF models (CAESAR; v2.1.13, Meylan v1.0.2, Read-Across v1.0.2) predict BCFs for the registration item in the range of 26 to 292.
The US EPA TEST package calculates the BCF on different sets of molecular descriptors. According to this strategy, the registration item yields a BCF value of 57.34 using the consensus method.
Molecular dimensions as indicators for limited bioconcentration, i. e. average maximum diameter were assessed as well. According to ECHA's Guidance on Information Requirements and Chemical Safety Assessment, R.11: PBT Assessment, the capability of crossing biological membranes is hindered if the average maximum diameter is > 1.7 nm. The registration item has a minimum DiamMax of 10.75.
In conclusion, using all available data in a weight-of-evidence approach, significant accumulation of 2 -ethylhexyl acetate in organisms is not to be expected.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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