Methyl trans-2-nonenoate
Synonym(s):melon nonenoate;Methyl (E)-2-nonenoate;Methyl 2-nonenoate
- CAS NO.：111-79-5
- Empirical Formula: C10H18O2
- Molecular Weight: 170.25
- MDL number: MFCD00027316
- EINECS: 203-908-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-12-31 16:09:46
What is Methyl trans-2-nonenoate?
Description
Methyl 2-nonenoate has a characteristic violet-like odor. May be obtained in quantitative yields by treating methyl P-chlorocaproate with sodium acetate, or by dehydrogenating the corresponding saturated ester.
Physical properties
Methyl trans-2-nonenoate is colorless to slightly yellow liquid;strong violet-leaf odor. Stable; soluble in alco-hol. Combustible.
Chemical properties
Methyl 2-Nonenoate is a colorless to pale yellow liquid with a green, floral note. It imparts freshness to floral fragrance compositions and is recommended as a substitute for methyl 2-octynoate.The synthesis consists of a condensation of heptanal withmalonic acid, decarboxylation, and subsequent esterification with methanol.
Occurrence
Methyl trans-2-nonenoate has apparently not been reported to occur in nature.
The Uses of Methyl trans-2-nonenoate
Perfumes.
Preparation
Obtained in quantitative yields by treating methyl β-chlorocaproate with sodium acetate, or by dehydrogenating the corresponding saturated ester.
Definition
ChEBI: Methyl 2-nonenoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 5 ppm: green, waxy, oily, fruity, watermelon rind, pear- and apple-like.
Synthesis Reference(s)
The Journal of Organic Chemistry, 54, p. 1831, 1989 DOI: 10.1021/jo00269a017
Synthetic Communications, 24, p. 2069, 1994 DOI: 10.1080/00397919408010217
Tetrahedron Letters, 30, p. 6555, 1989 DOI: 10.1016/S0040-4039(01)89020-1
Flammability and Explosibility
Not classified
Trade name
Neofolione (Givaudan).
Metabolism
2-Nonenoic acid produced by the hydrolysis of methyl nonylenate will presumably pass through the normal pathways of fatty acid metabolism (Lehninger, 1970)
Properties of Methyl trans-2-nonenoate
| Melting point: | -89.9°C (estimate) |
| Boiling point: | 115 °C21 mm Hg(lit.) |
| Density | 0.895 g/mL at 25 °C(lit.) |
| vapor pressure | 13.33hPa at 95.84℃ |
| refractive index | n |
| FEMA | 2725 | METHYL 2-NONENOATE |
| Flash point: | 196 °F |
| storage temp. | Sealed in dry,Room Temperature |
| Odor | at 100.00 %. sweet green waxy violet pear fruity melon vegetable |
| Water Solubility | 52.1mg/L at 25℃ |
| JECFA Number | 1813 |
| CAS DataBase Reference | 111-79-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Nonenoic acid, methyl ester(111-79-5) |
| EPA Substance Registry System | 2-Nonenoic acid, methyl ester (111-79-5) |
Safety information for Methyl trans-2-nonenoate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Methyl trans-2-nonenoate
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