CIS-3-HEXENYL ISOBUTYRATE Chemical Properties

Melting point:

-89.9°C (estimate)

Boiling point:

92 °C20 mm Hg(lit.)

Density 

0.878 g/mL at 25 °C(lit.)

vapor pressure 

2.16-2.73hPa at 20-25℃

FEMA 

3929 | CIS-3-HEXENYL ISOBUTYRATE

refractive index 

n20/D 1.428(lit.)

Flash point:

185 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Practically insoluble in water. soluble in alcohol and propylene glycol, miscible with oils.

form 

Liquid

color 

Colorless to Light yellow

Specific Gravity

0.89

Odor

at 10.00 % in dipropylene glycol. fruity green pear apple tropical mango tomato leaf violet leaf

Odor Type

fruity

JECFA Number

1275

LogP

3.4 at 35℃ and pH7

CAS DataBase Reference

41519-23-7(CAS DataBase Reference)

EPA Substance Registry System

(Z)-3-Hexenyl isobutyrate (41519-23-7)

Safety Information

Hazard Codes 

Xi

Risk Statements 

38

Safety Statements 

36

WGK Germany 

2

RTECS 

UA2470200

HS Code 

29156000

MSDS

• Language:English Provider:SigmaAldrich

CIS-3-HEXENYL ISOBUTYRATE Usage And Synthesis

Chemical Properties

(Z)-3-Hexenyl Isobutyrate is found in spearmint oil. It smells fruity green and is used in perfumery to create freshness in blossom compositions.

Chemical Properties

(Z)-3-Hexenyl isobutyrate has a green, fruity, apple-like odor

Occurrence

Reported found in guava, spearmint, Chinese quince.

Uses

As compared to the n-Butyratc, this ester is less buttery, more fruity in its overall odor type. It is perhaps less reminiscent of natural products except Apple, and has therefore not become very popular. It could find usc as a modifier for the Hcxcnyl esters with lower acids, and it will blend particularly well with fruity notes of the Apple-Peach-Apricot type (Undccanolidc, etc.). It lends freshness to Lavender and other hcrbaccous fragrances, and gives lift to many types of floral fragrance.

Preparation

by csterification of cis-3-Hexenol with iso-Butyric acid under azeotropic conditions.

Definition

ChEBI: 3Z-Hexenyl isobutyrate is a carboxylic ester.

Aroma threshold values

Aroma characteristics at 1.0%: sweet fruity apple and pear with a slight green character

Taste threshold values

Taste characteristics at 1 to 5 ppm: sweet, fruity, apple and pear with a slight green character and nuances of raw beans and filberts

General Description

Natural occurrence: Guava, spearmint, Chinese quince.

Biochem/physiol Actions

Taste at 1-5 ppm

CIS-3-HEXENYL ISOBUTYRATE(41519-23-7)Related Product Information

• Isobutyric acid
• n-Tetradecyl butanoate
• DODECYL ISOBUTYRATE
• CINNAMYL ISOBUTYRATE
• Butyl isobutyrate
• ISOBUTYRIC ACID POTASSIUM SALT
• Hexyl isobutyrate
• Phenethyl isobutyrate
• Phenoxyethyl isobutyrate
• Vanillin isobutyrate
• Ethyl isobutyrylacetate
• Methyl isobutyrate
• Benzyl isobutyrate
• Methyl isobutyrylacetate
• CITRONELLYL ISOBUTYRATE
• Sodium O-isobutyl dithiocarbonate
• Triethoxyisobutylsilane
• Maltol isobutyrate