ISOAMYL HEXANOATE
Synonym(s):3-Methylbutyl hexanoate;Methylbutyl caproate, Caproic acid methylbutyl ester, Hexanoic acid methylbutyl ester
- CAS NO.：2198-61-0
- Empirical Formula: C11H22O2
- Molecular Weight: 186.29
- MDL number: MFCD00027280
- EINECS: 218-600-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-06-05 14:10:51
What is ISOAMYL HEXANOATE?
Description
Isoamyl hexanoate has a fruity odor. May be prepared by esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
Chemical properties
Colorless liquid
Chemical properties
Isoamyl hexanoate has an apple, pineapple, fruity, green, sweet odor.
Occurrence
Reported found in rind of California orange, apple, apricot, banana, grapefruit peel, grapes, pineapple, strawberry, cheeses, beer, cognac, rum, whiskies, sherry, grape wines, passion fruit, plum, brandy (plum, pear and apple), strawberry and bilberry wine, cherimoya, and mastic gum leaf and fruit oil.
The Uses of ISOAMYL HEXANOATE
Isoamyl Hexanoate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. It is soluble in alcohol, fixed oils, and mineral oil. Storage should be in glass, tin, or resin-lined containers. It is used in fruit flavors such as banana and pineapple for applications in desserts, candy, and ice cream at 4–22 ppm.
Definition
ChEBI: A fatty acid ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol).
Preparation
By esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources.
Production Methods
Isoamyl hexanoate is prepared by direct esterification of the iso-Amyl alcohol with Caproic ( = Hexanoic) acid under azeotropic conditions.
Taste threshold values
Taste characteristics at 25 ppm: fruity, green, pineapple with a waxy nuance
Solubility in organics
Soluble in alcohol, essential oils, perfume and flavor materials.
Properties of ISOAMYL HEXANOATE
| Melting point: | -47°C (estimate) |
| Boiling point: | 222 °C(lit.) |
| Density | 0.86 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 2075 | ISOAMYL HEXANOATE |
| Flash point: | 185 °F |
| storage temp. | Store below +30°C. |
| Water Solubility | Insoluble in water |
| form | clear liquid |
| color | Colorless to Light yellow |
| Odor | at 100.00 %. fruity banana apple pineapple green |
| JECFA Number | 46 |
| CAS DataBase Reference | 2198-61-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Isopentyl hexanoate(2198-61-0) |
| EPA Substance Registry System | Hexanoic acid, 3-methylbutyl ester (2198-61-0) |
Safety information for ISOAMYL HEXANOATE
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for ISOAMYL HEXANOATE
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