PENTYL HEXANOATE Property

Melting point:

-47°C

Boiling point:

226 °C(lit.)

Density 

0.858 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.42(lit.)

FEMA 

2074 | AMYL HEXANOATE

Flash point:

195 °F

solubility 

Insoluble in water, soluble in alcohol, essential oils, perfume and flavor materials.

color 

Colorless to Almost colorless

Odor

Pungent-fruity, yet refreshing odor, Pineapple-like taste, sweet-sharp fruity, powerful, somewhat green-fruity undertone.

Odor Type

fruity

Merck 

14,605

JECFA Number

163

LogP

4.43

CAS DataBase Reference

540-07-8(CAS DataBase Reference)

EPA Substance Registry System

Hexanoic acid, pentyl ester (540-07-8)

Safety

Hazard Codes 

Xi

Risk Statements 

36/38-36/37/38

Safety Statements 

26-36

RIDADR 

NA 1993 / PGIII

WGK Germany 

2

RTECS 

MO8421700

HS Code 

38220090

Toxicity

LD50 orl-rat: >5 g/kg FCTOD7 26,285,88

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

PENTYL HEXANOATE Chemical Properties,Usage,Production

Chemical Properties

Amyl hexanoate has a charcteristic fruit-like (banana, pineapple) aroma.

Occurrence

Reported in fresh apple, apple juice, apricot (Prunus armeniaca L.), Vitis labrusca L., other Vitis species, strawberry fruit, blue cheese, beer, rum, cider, white wine, soybean, yellow passion fruit juice, fresh plum, other varieties of mushroom, Chinese quince peel and other natural sources.

Uses

Pentyl hexanoate is probably not used in perfumes. Finds use in flavor compositions for imitation Apple, Chocolate, Citrus, Grape, Honey, Liqueur-types, Pineapple, etc. Concentration usually up to 50 ppm in the finished product. In chewing gum as high as 110 ppm.

Preparation

Pentyl hexanoate is produced by azeotropic esterification of n-Amylalcohol with n-Hexanoic acid.

Definition

ChEBI: Valeryl hexanoate is a fatty acid ester.

Preparation

By esterification of hexanoic acid with n-amyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.

Taste threshold values

Taste characteristics at 20 ppm: green, waxy, sweet and fruity with cognac-like notes.

Synthesis Reference(s)

The Journal of Organic Chemistry, 35, p. 3167, 1970 DOI: 10.1021/jo00834a075

Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.