Isoamyl Butyrate
  • Isoamyl ButyrateIsoamyl Butyrate

Isoamyl Butyrate

Isoamyl butyrate's cas code is 106-27-4

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Product Description

Isoamyl butyrate Basic information


Description References


Product Name:

Isoamyl butyrate

CAS:

106-27-4

MF:

C9H18O2

MW:

158.24

EINECS:

203-380-8

Mol File:

106-27-4.mol



Isoamyl butyrate Chemical Properties


Melting point 

-73 °C

Boiling point 

184-185 °C(lit.)

density 

0.862 g/mL at 25 °C(lit.)

vapor density 

5.45 (vs air)

vapor pressure 

1.1 hPa (20 °C)

refractive index 

n20/D 1.411(lit.)

FEMA 

2060 | ISOAMYL BUTYRATE

Fp 

136 °F

storage temp. 

Store below +30°C.

solubility 

0.5g/l

form 

neat

Specific Gravity

0.866 (20/4℃)

Merck 

14,5115

JECFA Number

45

InChIKey

PQLMXFQTAMDXIZ-UHFFFAOYSA-N

CAS DataBase Reference

106-27-4(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 3-methylbutyl ester(106-27-4)

EPA Substance Registry System

Isoamyl butyrate (106-27-4)


Isoamyl butyrate Safety Information


Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-24/25

RIDADR 

UN 3272 3/PG 3

WGK Germany 

1

RTECS 

ET5034000

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29156019

Toxicity

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg


Isoamyl butyrate Usage And Synthesis


Description

Isoamyl Butyrate is a chemical ester of butyrate. It is a kind of flavoring agent that widely used in the preparation of a variety of fruit juice flavor, such as apricots, bananas, pears, apples and other flavor. It is high-demand flavor and fragrance compounds widely used in the food, beverage, cosmetic, and pharmaceutical industries. It is also a kind of solvent for extracting natural spices and the solvent of acetate fiber. Its synthesis can be mediated by the lipase (from various sources) catalyzed esterfication of isoamyl alcohol and butyrate.

References

Macedo, G. A., G. M. Pastore, and M. I. Rodrigues. "Optimising the synthesis of isoamyl butyrate using Rhizopus sp. lipase with a central composite rotatable design." Process Biochemistry 39.6 (2004): 687-693.
Krishna, S. Hari, et al. "Lipase-catalyzed synthesis of isoamyl butyrate: optimization by response surface methodology." Journal of the American Oil Chemists' Society 76.12 (1999): 1483- 1488.
Langrand, G., C. Triantaphylides, and J. Baratti. "Lipase catalyzed formation of flavour esters." Biotechnology Letters 10.8 (1988): 549-554.

Description

Isoamyl butyrate has a strong, characteristic, fruity (pear-like) odor and a sweet, corresponding taste. Usually prepared by esterification of commercial isoamyl alcohols with butyric acid by heating in the presence of TwitchelFs reagent; or by fermentation from butyric acid and isoamyl alcohol.

Chemical Properties

Isoamyl butyrate has a fruity, apricot, pineapple, banana, strong, characteristic odor and a sweet, corresponding taste

Chemical Properties

Isoamyl Butyrate is a liquid with strongly fruity odor that occurs, for example, in banana. It is used mainly in fruit flavors.

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

manufacture of artficial rum and fruit essences.

Uses

Isoamyl Butyrate is a synthetic flavoring agent that is a stable, col- orless liquid of strong fruity odor. it is usually prepared by esterifica- tion of isoamyl alcohols with butyric acid. it is soluble in most fixed oils and mineral oil and is insoluble in glycerin and propylene gly- col. storage should be in glass, tin, or resin-lined containers. it is used in fruit flavors such as pineapple, raspberry, and strawberry and has application in dessert gels, puddings, and baked goods at 50–60 ppm.

Definition

ChEBI: The butanoate ester of isoamylol.

Preparation

Usually prepared by esterification of commercial isoamyl alcohols with butyric acid by heating in the presence of Twitchell’s reagent; or by fermentation from butyric acid and isoamyl alcohol

Taste threshold values

Taste characteristics at 10 ppm: ripe fruity, fatty, banana, apple, melon and fermented whiskey


Isoamyl butyrate Preparation Products And Raw materials


Raw materials

Calcium chloride-->3-Methyl-1-butanol-->(3R,4S)-1-Benzoyl-3-(1-methoxy-1-methylethoxy)-4-phenyl-2-azetidinone-->Tungstic acid


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