Related Experiment Video
Updated: Sep 20, 2026

Synthesis of Esters Via a Greener Steglich Esterification in Acetonitrile
Published on: October 30, 2018
Update to RIFM fragrance ingredient safety assessment, ethyl (e)hex-3-enoate, CAS Registry Number 26553-46-8
A M Api1, A Bartlett1, D Belsito2
1Research Institute for Fragrance Materials, Inc., 1200 MacArthur Boulevard, Suite 306, Mahwah, NJ 07430, USA.
Abstract:
Ethyl (E)hex-3-enoate was evaluated for genotoxicity, repeated dose toxicity, reproductive toxicity, local respiratory toxicity, photoirritation/photoallergenicity, skin sensitization, and environmental safety. Data from read-across analog methyl 3-hexenoate (CAS # 2396-78-3) show that ethyl (E)hex-3-enoate is not expected to be genotoxic. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the Threshold of Toxicological Concern (TTC) for a Cramer Class I material, and the exposure to ethyl (E)hex-3-enoate is below the TTC (0.03 mg/kg/day, 0.03 mg/kg/day, and 1.4 mg/day, respectively). Data from read-across analog methyl undec-10-enoate (CAS # 111-81-9) show that there are no safety concerns for ethyl (E)hex-3-enoate for skin sensitization under the current declared levels of use. The photoirritation/photoallergenicity endpoints were evaluated based on ultraviolet/visible (UV/Vis) spectra; ethyl (E)hex-3-enoate is not expected to be photoirritating/photoallergenic. The environmental endpoints were evaluated; ethyl (E)hex-3-enoate was found not to be Persistent, Bioaccumulative, and Toxic (PBT) as per the International Fragrance Association (IFRA) Environmental Standards, and its risk quotient (RQ), based on its current volume of use (VoU) in Japan (JP) (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), is <1. Ethyl (E)hex-3-enoate could not be risk screened for Europe (EU), North America (NA), Asia-Pacific (AP), or South America (SA), as there were no reported VoUs for these regions in the 2023 IFRA Survey.

