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Isobutyl formate

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Isobutyl formate Basic information

Product Name:
Isobutyl formate
Synonyms:
  • 2-Methyl-1-propyl formate
  • 2-methyl-1-propylformate
  • ISOBUTYL FORMATE
  • Iso-butyl methanoate
  • FEMA 2197
  • FORMIC ACID ISOBUTYL ESTER
  • 2-METHYLPROPYL FORMATE
  • 2-methylpropyl ester
CAS:
542-55-2
MF:
C5H10O2
MW:
102.13
EINECS:
208-818-1
Product Categories:
  • Alphabetical Listings
  • Flavors and Fragrances
  • C2 to C5
  • Carbonyl Compounds
  • Esters
  • I-L
Mol File:
542-55-2.mol
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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
Odor Threshold
0.49ppm
explosive limit
8.9%
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)
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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

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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.]

Isobutyl formate Preparation Products And Raw materials

Raw materials

Isobutyl formateSupplier

3B Pharmachem (Wuhan) International Co.,Ltd.
Tel
821-50328103-801 18930552037
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3bsc@sina.com
TCI (Shanghai) Development Co., Ltd.
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021-67121386
Email
Sales-CN@TCIchemicals.com
Energy Chemical
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021-021-58432009 400-005-6266
Email
sales8178@energy-chemical.com
Shanghai Hanhong Scientific Co.,Ltd.
Tel
021-54306202 13764082696
Email
info@hanhongsci.com
Shandong Xiya Chemical Co., Ltd
Tel
4009903999 13355009207
Email
3007715519@qq.com