LINALYL ISOBUTYRATE Chemical Properties

Boiling point:

305.75°C (rough estimate)

Density 

1.0013 (rough estimate)

vapor pressure 

3.5-6.1Pa at 20-25℃

refractive index 

1.4576 (estimate)

FEMA 

2640 | LINALYL ISOBUTYRATE

Odor

at 100.00 %. light fruity lavender woody bergamot

Odor Type

fruity

JECFA Number

362

LogP

5.5 at 30℃ and pH7

NIST Chemistry Reference

Linalyl isobutyrate(78-35-3)

EPA Substance Registry System

3,7-Dimethyl-1,6-octadien-3-ol isobutyrate (78-35-3)

LINALYL ISOBUTYRATE Usage And Synthesis

Description

Linalyl isobutyrate has a light, fruity odor with a lavender note and a sweet flavor reminiscent of black currant. May be synthe sized by esterification of linalool with isobutyric anhydride.

Chemical Properties

Linalyl Isobutyrate has a fresh, fruity lavender odor,which is more refined than that of the butyrate. It is used in lavender compositions and in several floral notes.

Occurrence

Reported found in the essential oil of Ceylon cinnamon and in lavender oil; a dextrorotatory form has been reported in the oil from leaves of Agathosoma gnidioides and sour cherry.

Uses

Linalyl Isobutyrate is a flavoring agent that is a liquid, slightly yellow in color with a fruity odor. it is miscible in alcohol, ether, and chloroform, and insoluble in water. it is obtained by chemical synthesis. it is also termed 3,7-dimethyl-2,6-octadien-3-yl isobutrate.

Definition

ChEBI: Linalyl isobutyrate is a monoterpenoid.

Application

Linalyl Isobutyrate is used in perfume compositions, mainly in Lavender complexes, Bergamot bases, Lilac and Citrus-colognes, etc. The ester is also used in Banana, Blackcurrant, Cherry, Pear, Pineapple, Plum and other imitation fruit flavours, as well as in Nut, Spice, Citrus, Berry and various fruit complexes and bases. The concentration varies from 2 to 15 ppm in the finished product.

Preparation

By esterification of linalool with isobutyric anhydride.

Taste threshold values

Taste characteristics at 20 ppm: floral, fruity, sweet, berry and citrus.

Toxicity evaluation

In the rat, the acute oral LD 50 was reported to be > 36.3 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). At this dose, the highest tested, toxic signs included depression, wet fur and diarrhoea, but the surviving animals appeared normal after 1 wk. In the mouse, the acute oral LD 50 was 151 g/kg (Jenner et al. 1964); animals were depressed soon after treatment and excitable after 1 hr, with rough fur, and death occurred between 4 hr and 3 days. The acute dermal LD 50 in rabbits was reported as > 5 g/kg (Moreno, 1974).

LINALYL ISOBUTYRATE(78-35-3)Related Product Information

• DODECYL ISOBUTYRATE
• AMYL ISOBUTYRATE
• HEPTYL ISOBUTYRATE
• OCTYL ISOBUTYRATE
• Hexyl isobutyrate
• NERYL ISOBUTYRATE
• DIMETHYL BENZYL CARBINYL ISOBUTYRATE
• CITRONELLYL ISOBUTYRATE
• METHYL-2-BUTYL-ISO-BUTYRATE
• Linalool
• allyl isobutyrate
• Isobutyric acid
• LINALYL BUTYRATE
• 3-METHYL-1-PENTEN-3-OL
• Linalyl acetate
• 1-HEXEN-3-YL ACETATE
• Ethyl linalool
• LINALYL PROPIONATE