Ethylisobutyraat

Product Name:

Ethyl isobutyrate

Synonyms:

Natural Ethyl isobutyrate 97-62-1 For Sale;2-methyl-propanoicaciethylester;2-methyl-propionicaciethylester;Ethyl ester of 2-methyl-propanoic acid;Ethyl methylpropanoate;Ethyl-2-methylproanoate;Ethyl-2-methylpropanate;Propionic acid, 2-methyl-, ethyl ester

CAS:

97-62-1

MF:

C6H12O2

MW:

116.16

EINECS:

202-595-4

Product Categories:

Organics;C6 to C7;Esters;Certified Natural ProductsFlavors and Fragrances;Alphabetical Listings;Carbonyl Compounds;E-F;Flavors and Fragrances

Mol File:

97-62-1.mol

Melting point 

-88°C

Boiling point 

112-113 °C(lit.)

density 

0.865 g/mL at 25 °C(lit.)

vapor density 

4.01 (vs air)

vapor pressure 

40 mm Hg ( 33.8 °C)

refractive index 

n20/D 1.387(lit.)

FEMA 

2428 | ETHYL ISOBUTYRATE

Fp 

57 °F

storage temp. 

Flammables area

solubility 

alcohol: miscible(lit.)

form 

Liquid

color 

Clear colorless

Odor Threshold

0.000022ppm

Water Solubility 

Not miscible or difficult to mix in water. Soluble in alcohol.

Merck 

14,3814

JECFA Number

186

BRN 

773846

CAS DataBase Reference

97-62-1(CAS DataBase Reference)

NIST Chemistry Reference

Propanoic acid, 2-methyl-, ethyl ester(97-62-1)

EPA Substance Registry System

Ethyl isobutyrate (97-62-1)

Hazard Codes 

F,Xi

Risk Statements 

11-36/37/38

Safety Statements 

16-26-36-36/37/39

RIDADR 

UN 2385 3/PG 2

WGK Germany 

2

RTECS 

NQ4675000

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29156000

Chemical Properties

Colorless volatile liquid. With aromas of fruit and cream. Melting point is -88 DEG C, and boiling point is 112 ~ 113 C. Slightly soluble in water and miscible with most organic solvents.
The natural product is found in strawberries, honey, molasses, beer and champagne.

Uses

Used as food essence and flavoring, mainly used in the preparation of cream and strawberry, cherry and other fruit essences. It can also be used as raw flavoring in cigarettes, daily chemical products and other products. At the same time, it is also an excellent organic solvent.

Use restriction

FEMA(mg/kg)：Soft drink 10; cold drink 25；sweets 73; baked food 200; puddings6.0; piping layers 1.5.

Preparation

Obtained by esterification of isobutyric acid and anhydrous ethanol. After mixing isobutyric acid and anhydrous ethanol, carefully add concentrated sulfuric acid. After refluxing the mixture for 14h, it should be washed by water and saturated sodium bicarbonate solution and dried by anhydrous magnesium sulfate and then go through distillation. Collecting fractions at 109-111℃ and obtain 2- methyl ethyl propionate. The yield is 69 percent.

Toxicity

GRAS (FEMA)
LD50800mg/kg (mice, subcutaneous )

Content Analysis

Adopt method one offered by the ester measurement. The sample is taken 1.0 gram by weight. Equivalent factor under calculation is taken at 58.08.
It should be measured with non-polar column method used in GT-10-4.

Chemical Properties

Ethyl isobutyrate has a fruity aromatic odor.

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

Ethyl Isobutyrate is a synthetic flavoring agent that is a stable, col- orless liquid of dry, fruity odor. it should be stored in tin, glass, or resin-lined containers. it is used to give fruity effects to flavors for applications in candy, baked goods, and beverages at 10–100 ppm.

Uses

manufacture of flavoring Compounds and essences.

Definition

ChEBI: A fatty acid methyl ester obtained by the formal condensation of isobutyric acid with ethanol.

Preparation

By esterification of ethanol with isobutyric acid under azeotropic conditions.

Aroma threshold values

Detection: 0.01 to 1 ppb

Taste threshold values

Taste characteristics at 12.5 ppm: pungent, ethereal and fruity with a rum- and eggnog-like nuance. Taste characteristics at 20 ppm: sweet, ethereal, fruity with a rum-like nuance

General Description

A colorless volatile liquid with a fruity, aromatic odor. Less dense than water and insoluble in water. Flash point below 60°F. Vapors heavier than air. May irritate skin and eyes. Used to make flavoring extracts and other chemicals.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

An ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Health Hazard

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Safety Profile

Moderately toxic by intraperitoneal route. A skin irritant. Flammable liquid. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Purification Methods

Wash the ester with aqueous 5% Na2CO3, then with saturated aqueous CaCl2. Dry it over CaSO4 and distil. [Beilstein 1 IV 846.]

Raw materials

Isobutyric acid

Preparation Products

3-ISOPROPYLISOXAZOL-5-AMINE-->2,6-DIMETHYL-3,5-HEPTANEDIONE