Description
Ethyl 2-methyl-3,4-pentadienoate (3,4-Pentadienoic acid, 2-methyl-, ethyl ester) is a relatively safe fragrance ingredient. Based on available data, it has no genotoxic, mutagenic, or photoirritation/photosensitization concerns. Its risk quotient (VoU) is < 1 based on its current use (VoU) in Europe and North America (i.e., predicted environmental concentration/predicted no-effect concentration [PEC/PNEC])[1].
Chemical Properties
Boiling point: 160℃ or 88～90℃ (7333Pa).
Odor: Fruity aroma with berry, pear and apple flavors.
Log K
OW: 2.51 (EPI Suite)
Stereochemistry: One stereocenter and 2 possible stereoisomers.
UV Spectra: No significant absorbance between 290 and 700 nm;
molar absorption coefficient is below the benchmark (1000 L mol
-1 ·cm
-1)
Taste threshold values
Taste characteristics at 30 ppm: cooling, green, cucumber, tropical and oily.
References
[1] A.M. API . RIFM fragrance ingredient safety assessment, ethyl 2-methyl-3,4-pentadienoate, CAS Registry Number 60523-21-9[J]. Food and Chemical Toxicology, 2023, 182: Article 114233. DOI:10.1016/j.fct.2023.114233.
