| Identification | More | [Name]
Isopentyl hexanoate | [CAS]
2198-61-0 | [Synonyms]
3-METHYLBUTYL HEXANOATE
AMYL (ISO) CAPROATE
CAPROIC ACID METHYLBUTYL ESTER
FEMA 2075
HEXANOIC ACID METHYLBUTYL ESTER
ISOAMYL CAPROATE
ISOAMYL HEXANOATE
ISOAMYL N-HEXANOATE
ISO-PENTYL HEXANOATE
ISOPENTYL N-HEXANOATE
METHYLBUTYL CAPROATE
N-CAPROIC ACID ISOAMYL ESTER
N-HEXANOIC ACID ISOAMYL ESTER
Hexanoic acid, 3-methylbutyl ester
Hexanoic acid, isopentyl ester
Hexanoicacid,3-methylbutylester
hexanoicacid,isopentylester
isopentyl caproate
ISOAMYL HEXANOATE 98+% NATURAL
ISOAMYL HEXANOATE 98+% FCC | [EINECS(EC#)]
218-600-8 | [Molecular Formula]
C11H22O2 | [MDL Number]
MFCD00027280 | [Molecular Weight]
186.29 | [MOL File]
2198-61-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
-47°C (estimate) | [Boiling point ]
222 °C(lit.) | [density ]
0.86 g/mL at 25 °C(lit.)
| [FEMA ]
2075 | [refractive index ]
n20/D 1.42(lit.)
| [Fp ]
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 | [Odor Type]
fruity | [JECFA Number]
46 | [LogP]
4.23 | [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. | [CAS DataBase Reference]
2198-61-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Isopentyl hexanoate(2198-61-0) | [EPA Substance Registry System]
2198-61-0(EPA Substance) |
| Safety Data | Back Directory | [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 |
| Hazard Information | Back Directory | [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. | [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. |
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