Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 204-642-4 | CAS number: 123-68-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
The substance is considered as not bioaccumulative. It is proposed to use a BCF of 102.3 L/kg in the chemical safety assessment as this was the maximum predicted BCF.
Key value for chemical safety assessment
- BCF (aquatic species):
- 102.3 L/kg ww
Additional information
Experimental data on the bioconcentration factor of the substance are not available. The valid ecotoxicity studies showed that the substance is poorly soluble in test medium and disappears from the test solutions very quickly if open test vessels are used. Satisfactory recoveries of the substance are only obtained in closed flow-through systems. It is likely that the ally ester is rapidly degraded to allyl alcohol and hexanoic acid by biotic and abiotic processes in all kinds of test systems. Both degradation products have low log Kow values showing that they have no potential for bioaccumulation. In addition, allyl alcohol is volatile and therefore can evaporate from test solutions to a significant extent. The bioconcentration factor of the substance allyl hexanoate was calculated with the BCFBAF program (as of September 2010, described in Meylan et al. 1999) using a fragment based QSAR model and with a QSAR model built on the relationship between the log Kow and BCF (Veith et al. 1979. The BCFs calculated with the models were 59.2 L/kg and 102.3 L/kg. Both values are below the cut-off value of 2000 L/kg triggering classification of substances as bioaccumulative. It is concluded that the B criterion is not met for allyl hexanoate and the substance is considered as not bioaccumulative. Due to the reasons mentioned above it is considered technically not feasible and scientifically unjustified to conduct in vivo testing of the bioaccumulation of allyl hexanoate.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
