cis-3-Hexenyl 2-methylbutanoate
- CAS NO.：53398-85-9
- Empirical Formula: C11H20O2
- Molecular Weight: 184.28
- MDL number: MFCD00036530
- EINECS: 258-517-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-19 18:29:52
What is cis-3-Hexenyl 2-methylbutanoate?
Chemical properties
cis-3-Hexenyl-2-methylbutyrate has a strong, warm, fruity odor like unripe apple and pineapple. It has a sweet, applelike taste
Occurrence
Reported found in apricot, scotch, spearmint, menthe oils, fresh plum and black tea
Definition
ChEBI: Cis-3-Hexenyl 2-methylbutanoate is a fatty acid ester.
What are the applications of Application
In spite of the “unripe” odour in high concentration, Cis-3-Hexenyl 2-methylbutanoate produces very “ripe” fruity notes in dilutions and combinations with suitable blenders. It has good tenacity. It is found in perfume compositions and artificial essential oils as a “naturalized” freshener-modifier for the greener notes of lower esters of Hexcnol. It blends particularly well with Lavender, Lavandin, Clary Sage and Geranium. In flavours, it offers good opportunities for variation of the Apple and Pine-apple themes with conventional materials; in Plum, Peach and Apricot, where overly sweet fruity notes may be prevalent, it will supply sufficient freshness to compensate for those heavy Aromas of other chemicals. Esters of alpha- Mcthylbutyric acid have become quite popular since more and more such esters have been identified in natural products. Approved for use in food flavours by the American F. R. 1965.
What are the applications of Application
Cis-3-Hexenyl 2-methyl butanoate is produced from cis-3-Hcxenol by esterification with alpha-Methylbutync acid under azeotropic conditions.
Taste threshold values
Taste characteristics at 10 ppm: green, fruity, sweet, juicy and pear-like with vegetative nuances
Properties of cis-3-Hexenyl 2-methylbutanoate
| Melting point: | -58.7°C (estimate) |
| Boiling point: | 228.24°C (estimate) |
| Density | 0.878 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3497 | 3-HEXENYL 2-METHYLBUTANOATE |
| Flash point: | 182 °F |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Insoluble in water, soluble in alcohol and oils. |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Odor | at 10.00 % in propylene glycol. fresh green apple sweet fruity pear |
| CAS DataBase Reference | 53398-85-9(CAS DataBase Reference) |
| EPA Substance Registry System | (Z)-3-Hexenyl 2-methylbutyrate (53398-85-9) |
Safety information for cis-3-Hexenyl 2-methylbutanoate
| Signal word | Warning |
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
Computed Descriptors for cis-3-Hexenyl 2-methylbutanoate
| InChIKey | JKKGTSUICJWEKB-SREVYHEPSA-N |
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