|
Product Name: |
ISOAMYL HEXANOATE |
|
Synonyms: |
Hexanoic acid, 3-methylbutyl ester;Hexanoic acid, isopentyl ester;Hexanoicacid,3-methylbutylester;hexanoicacid,isopentylester;isopentyl caproate;3-METHYLBUTYL HEXANOATE;ISOAMYL HEXANOATE;ISOAMYL N-HEXANOATE |
|
CAS: |
2198-61-0 |
|
MF: |
C11H22O2 |
|
MW: |
186.29 |
|
EINECS: |
218-600-8 |
|
Product Categories: |
Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L |
|
Mol File: |
2198-61-0.mol |
|
|
|
|
Melting point |
-47°C (estimate) |
|
Boiling point |
222 °C(lit.) |
|
density |
0.86 g/mL at 25 °C(lit.) |
|
FEMA |
2075 | ISOAMYL HEXANOATE |
|
refractive index |
n20/D 1.42(lit.) |
|
Fp |
185 °F |
|
storage temp. |
Store below +30°C. |
|
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 Statements |
24/25 |
|
WGK Germany |
2 |
|
RTECS |
MO8389300 |
|
HS Code |
29159080 |
|
HS Code |
29349990 |
|
Toxicity |
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
|
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 |
Isoamyl hexanoate has an apple, pineapple, fruity, green, sweet odor. |
|
Chemical Properties |
Colorless liquid |
|
Uses |
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. |
|
Preparation |
By esterification of caproic acid with the isomeric amyl alcohols obtained from fusel oil and other sources. |
|
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). |
|
Taste threshold values |
Taste characteristics at 25 ppm: fruity, green, pineapple with a waxy nuance |
|
Raw materials |
Hexanoic acid |
