Butyl hexanoate Chemical Properties

Melting point:

-64.3°C

Boiling point:

61-62 °C/3 mmHg (lit.)

Density 

0.866 g/mL at 25 °C (lit.)

FEMA 

2201 | BUTYL HEXANOATE

refractive index 

1.416

Flash point:

178 ºF

storage temp. 

Sealed in dry,Room Temperature

form 

clear liquid

color 

Colorless

Odor

at 100.00 %. fruity pineapple berry apple juicy green winey waxy cognac soapy

Odor Type

fruity

JECFA Number

162

LogP

3.81

CAS DataBase Reference

626-82-4(CAS DataBase Reference)

NIST Chemistry Reference

Hexanoic acid, butyl ester(626-82-4)

EPA Substance Registry System

Hexanoic acid, butyl ester (626-82-4)

Safety Information

Safety Statements 

24/25

WGK Germany 

2

RTECS 

MO6950000

HS Code 

29156000

MSDS

• Language:English Provider:Butyl hexanoate

Butyl hexanoate Usage And Synthesis

Chemical Properties

Colorless liquid. B.P. 208°C. Sp.Gr. 0.862. Very slightly soluble in water, soluble in alcohol and oils. Heavy vinous-fruity odor, reminiscent of overripe Pineapple, yet pleasant in high dilution.

Occurrence

Reported found in fresh apple, apple juice, apricot, banana and orange juice.

Uses

Butyl Hexanoate is used in preparation of low viscosity and high flammability ester synthetic oil.
Sweet fruity Pineapple-like taste in aqueous media. Used in flavor compositions for imitation Butter, Pineapple, Rum, and in Butterscotch type flavor, etc. Concentrations are usually about 10 ppm in the finished product.

Preparation

By esterification of hexanoic acid with n-butyl alcohol in benzene solution in the presence of p-toluene sulfonic acid; it is also formed in the fermentation of carbohydrates yielding n-butyl alcohol and acetone.

Definition

ChEBI: Butyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with butan-1-ol. It is a volatile compound found in apples and peaches. It has a role as a flavouring agent, a human metabolite, a plant metabolite and an insect attractant. It is a hexanoate ester and a volatile organic compound. It is functionally related to a butan-1-ol.

Aroma threshold values

Detection: 700 ppb to 10 ppm

Taste threshold values

Taste characteristics at 10 ppm: fruity, pineapple, green, waxy, tutti-frutti with a slight fermented fruit note.

Synthesis Reference(s)

Journal of the American Chemical Society, 79, p. 4759, 1957 DOI: 10.1021/ja01574a045

General Description

Butyl hexanoate is an aliphatic ester that can be used as a flavoring agent. It is one of the main volatile compounds found in apples. Along with red sticky sphere traps, butyl hexanoate can also act as an odor lure for apple maggot flies.

Safety Profile

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

Butyl hexanoate(626-82-4)Related Product Information

• STEARIC ANHYDRIDE
• HEPTANOIC ANHYDRIDE
• CHOLESTERYL STEARATE
• Cholesteryl pelargonate
• Dibutyl adipate
• CHOLESTERYL HEPTANOATE
• Ascorbyl Palmitate
• Cholesteryl oleate
• LAURIC ANHYDRIDE
• Dibutyl suberate
• Dioctyl sebacate
• Cholesteryl linoleate
• Cholesteryl palmitate
• Span 20
• Bis(2-ethylhexyl) adipate
• RUBRATOXIN B
• Cholesteryl caprylate
• Span 60