Isobutyl formate Chemical Properties

Melting point:

-96 °C

Boiling point:

98.4 °C (lit.)

Density 

0.885 g/mL at 25 °C (lit.)

vapor density 

3.52 (vs air)

refractive index 

n20/D 1.385(lit.)

FEMA 

2197 | ISOBUTYL FORMATE

Flash point:

50 °F

storage temp. 

Flammables area

Water Solubility 

Soluble in water

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 10.00 % in dipropylene glycol. sweet chemical ether fruity

Odor Type

chemical

explosive limit

8.9%

Odor Threshold

0.49ppm

Merck 

14,5143

JECFA Number

124

Dielectric constant

6.5（19℃）

InChIKey

AVMSWPWPYJVYKY-UHFFFAOYSA-N

LogP

1.23

CAS DataBase Reference

542-55-2(CAS DataBase Reference)

EPA Substance Registry System

Formic acid, 2-methylpropyl ester (542-55-2)

Safety Information

Hazard Codes 

F,C,Xi

Risk Statements 

11-34-36/37

Safety Statements 

16-26-33-36/37/39-45-24-9

RIDADR 

UN 2393 3/PG 2

WGK Germany 

2

RTECS 

LQ8650000

Autoignition Temperature

608 °F

HazardClass 

3.1

PackingGroup 

II

HS Code 

29151300

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich

Isobutyl formate Usage And Synthesis

Description

Isobutyl formate has a fruity, ether-like odor and a sweet taste reminiscent of rum. Isobutyl formate may be prepared from isobutyl alcohol and carbon monoxide in the presence of sodium isobutylate at 110°C and 400 atm.

Chemical Properties

Isobutyl formate has a fruity, ether-like odor and a sweet taste reminiscent of rum.

Chemical Properties

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

Occurrence

Reported found in pineapple, apple, vinegar, wheat bread, beer, cognac and rum.

Uses

Isobutyl Formate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. storage should be in glass or tin containers. it is used in fruit flavors such as pear, raspberry, and other berry flavors with applications in beverages, ice cream, candy, and baked goods at 2–18 ppm.

Preparation

From isobutyl alcohol and carbon monoxide in the presence of sodium isobutylate at 110°C and 400 atm

Definition

ChEBI: 2-Methylpropyl formate is a carboxylic ester.

Taste threshold values

Taste characteristics at 10 ppm: slightly sweet, fresh, gives lift, fruity

General Description

A colorless liquid. Less dense than water. Flash point 60°F. Vapors heavier than air. Vapors may be narcotic and irritating in high concentrations. Used as a solvent and to make perfumes.

Air & Water Reactions

Highly flammable. Soluble in water.

Reactivity Profile

Isobutyl formate is 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.

Biochem/physiol Actions

Taste at 10 ppm

Synthesis

Iso-BUTYL FORMATE is synthesized from iso-Butanol by direct esterification with formic acid under azeotropic conditions, using e. g. para-Tolylsulfonic acid catalyst.

Purification Methods

Wash the formate with saturated aqueous NaHCO3, in the presence of saturated NaCl solution until no further reaction occurs, then with saturated aqueous NaCl, dry (MgSO4) and fractionally distil it. [Beilstein 2 H 21, 2 I 18, 2 II 30, 2 III 41, 2 IV 29.]

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