Hexyl hexanoate Chemical Properties

Melting point:

−55 °C(lit.)

Boiling point:

245-246 °C(lit.)

Density 

0.863 g/mL at 25 °C(lit.)

vapor pressure 

2.4Pa at 20℃

FEMA 

2572 | HEXYL HEXANOATE

refractive index 

n20/D 1.424(lit.)

Flash point:

211 °F

solubility 

Almost insoluble in water, soluble in alcohol and Propylene glycol, miscible with oils.

form 

slightly oily liquid

Specific Gravity

0.87

color 

Colorless to Almost colorless

Odor

at 10.00 % in dipropylene glycol. herbal fresh cut grass vegetable fruity

Odor Type

green

Water Solubility 

951μg/L at 20℃

JECFA Number

164

LogP

5.7 at 20℃

CAS DataBase Reference

6378-65-0(CAS DataBase Reference)

NIST Chemistry Reference

Hexanoic acid, hexyl ester(6378-65-0)

EPA Substance Registry System

Hexanoic acid, hexyl ester (6378-65-0)

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-24/25

WGK Germany 

2

RTECS 

MO8385000

HS Code 

29159000

MSDS

• Language:English Provider:Hexyl hexanoate
• Language:English Provider:SigmaAldrich

Hexyl hexanoate Usage And Synthesis

Description

Hexyl hexanoate has a herbaceous odor. May be synthesized by passing n-hexyl alcohol over CuO + UO3 catalyst at 220 - 310°C, or by treating n-hexyl alcohol with Ca(Br03)2 and diluted aqueous HBr at 30°C.

Chemical Properties

Oily liquid

Chemical Properties

Hexyl hexanoate has an herbaceous odor

Occurrence

Reported found in apple, apricot, banana, sweet cherry, orange peel oil, guava, grapes, melon, papaya, strawberry fruit and jam, tomato, Parmesan cheese, rum, cider, sherry, grape wine, black tea, passion fruit, plum, mushroom, starfruit, quince, cherimoya, mountain papaya, black choke cherry, spineless monkey orange, Chinese quince peel and hog plum (Spondias mombins L.)

Uses

Hexyl hexanoate is probably more often used in flavor compositions, mainly in fruit flavors to add freshness and a touch of green note to various berry and fruit imitations flavors. It gives good effects in Strawbemy, a flavor in which the Hexyl family plays an important role. Concentrations are usually as low as 2 to 10 ppm in the finished product. Approved for use in food flavors by the American F.R.

Definition

ChEBI: Hexyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine. It has a role as a plant metabolite, a volatile oil component, a flavouring agent and a fragrance. It is functionally related to a hexan-1-ol.

Preparation

By passing n-hexyl alcohol over CuO + UO3 catalyst at 220 to 310°C, or by treating n-hexyl alcohol with Ca(BrO3)2 and diluted aqueous HBr at 30°C

Aroma threshold values

Detection: 6.4 ppm

Taste threshold values

Taste characteristics at 40 ppm: sweet, fruity and green with tropical notes.

Synthesis Reference(s)

The Journal of Organic Chemistry, 43, p. 371, 1978 DOI: 10.1021/jo00396a054

Flammability and Explosibility

Not classified

Hexyl hexanoate(6378-65-0)Related Product Information

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