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HomeProduct name listIsobutyl formate

Isobutyl formate

  • CAS NO.:542-55-2
  • Empirical Formula: C5H10O2
  • Molecular Weight: 102.13
  • MDL number: MFCD00003293
  • EINECS: 208-818-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-25 15:44:26
Isobutyl formate Structural

What is Isobutyl formate?

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

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

Chemical properties

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

Occurrence

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

The Uses of Isobutyl formate

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.]

Properties of Isobutyl formate

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 Threshold 0.49ppm
explosive limit 8.9%
Merck  14,5143
JECFA Number 124
Dielectric constant 6.5(19℃)
CAS DataBase Reference 542-55-2(CAS DataBase Reference)
EPA Substance Registry System Formic acid, 2-methylpropyl ester (542-55-2)

Safety information for Isobutyl formate

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Isobutyl formate

InChIKey AVMSWPWPYJVYKY-UHFFFAOYSA-N

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