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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 202-334-4 | CAS number: 94-46-2
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for 3-methylbutyl benzoate is 254.2 L/kg whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that 3-methylbutyl benzoate is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Five results including different predicted data from validated models and experimental data from authorative database for bioaccumulation (BCF) endpoint of target chemical 3-methylbutyl benzoate (Cas no. 94-46-2) were summarized as follows:
First prediction done using BCFBAF (v3.00) model indicate the estimated bio concentration factor (BCF) for 3-methylbutyl benzoate is 254.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 3-methylbutyl benzoate is not expected to bio accumulate in the aquatic environment.
Other predicted database PBT profiler indicate the Bioaccumulation factor (BCF) for test substance 3-methylbutyl benzoate was estimated to be 250 L/kg wet-wt at 25 deg.C.
Data from Scifinder database suggest the Bioconcentration factor (BCF) for target chemical 3-methylbutyl benzoate was predicted to be 653 at pH range 1-10 and temperature 25 deg.C
Whereas Chemspider - ACD/PhysChem Suite estimates the Bioconcentration factor (BCF) for target chemical 3-methylbutyl benzoate as 739.05 at pH 5.5 and 7.4 at temperature 25 deg.C.
All above predicted results of target supported by experimental data of read across chemical Butyl benzoate (Cas no. 94-46-2) which suggest an estimated BCF value of 62 was calculated in fish for butyl benzoate, using recommended regression-derived equation and water solubility of 59 mg/L. This BCF value suggests that bioconcentration in aquatic organisms is not important.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the test substance 3-methylbutyl benzoate (Cas no. 94-46-2) is expected to be non Bioaccumulative in aquatic environment.
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.
