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- FEMA 3678
-
- $1.00
-
2020-01-15
- CAS:60523-21-9
- Min. Order: 1KG
- Purity: 98%
- Supply Ability: 1kg ,5kg, 50kg
|
| | Ethyl 2-methyl-3,4-pentadienoate Basic information |
| Product Name: | Ethyl 2-methyl-3,4-pentadienoate | | Synonyms: | 4-pentadienoicacid,2-methyl-ethylester;ethyl 2-methylpenta-3,4-dienoate;2-Methyl-3,4-pentadienoicacidethylester;ETHYL 2-METHYL-3,4-PENTADIENOATE;FEMA 3678;3,4-Pentadienoic acid, 2-methyl-, ethyl ester;berry pentadienoate;FEMA 3678 USP/EP/BP | | CAS: | 60523-21-9 | | MF: | C8H12O2 | | MW: | 140.18 | | EINECS: | 262-278-1 | | Product Categories: | | | Mol File: | 60523-21-9.mol |  |
| | Ethyl 2-methyl-3,4-pentadienoate Chemical Properties |
| Boiling point | 172.6±10.0 °C(Predicted) | | density | 0.886±0.06 g/cm3(Predicted) | | vapor pressure | 0.9 mm Hg at 20 (EPI Suite) | | FEMA | 3678 | ETHYL 2-METHYL-3,4-PENTADIENOATE | | Fp | 50℃ | | Odor | at 100.00 %. fruity tropical tutti frutti rummy green strawberry earthy berry | | Odor Type | fruity | | Water Solubility | 599.2 mg/L (EPI Suite) | | JECFA Number | 353 | | InChI | InChI=1S/C8H12O2/c1-4-6-7(3)8(9)10-5-2/h6-7H,1,5H2,2-3H3 | | InChIKey | DDZLNKMWFGDTAX-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)C(C)C=C=C | | LogP | 2.02 | | EPA Substance Registry System | 3,4-Pentadienoic acid, 2-methyl-, ethyl ester (60523-21-9) |
| | Ethyl 2-methyl-3,4-pentadienoate Usage And Synthesis |
| 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 KOW: 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. |
| | Ethyl 2-methyl-3,4-pentadienoate Preparation Products And Raw materials |
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