Isopentyl formate Chemical Properties

Melting point:

-93°C

Boiling point:

123-124 °C (lit.)

Density 

0.859 g/mL at 25 °C (lit.)

vapor pressure 

10 mm Hg ( 17.1 °C)

refractive index 

n20/D 1.397(lit.)

FEMA 

2069 | ISOAMYL FORMATE

Flash point:

86 °F

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 10.00 % in dipropylene glycol. plum black currant ethereal vinous dry earthy fruit green

Odor Type

green

explosive limit

8%

Merck 

14,5119

JECFA Number

42

BRN 

1739893

InChIKey

XKYICAQFSCFURC-UHFFFAOYSA-N

LogP

1.72

CAS DataBase Reference

110-45-2(CAS DataBase Reference)

NIST Chemistry Reference

1-Butanol, 3-methyl-, formate(110-45-2)

EPA Substance Registry System

1-Butanol, 3-methyl-, formate (110-45-2)

Safety Information

Hazard Codes 

Xi

Risk Statements 

10-36/37

Safety Statements 

24-2

RIDADR 

UN 1109 3/PG 3

WGK Germany 

1

RTECS 

NT0185000

HazardClass 

3.2

PackingGroup 

III

HS Code 

29151300

Toxicity

LD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964)

MSDS

• Language:English Provider:Isoamyl formate
• Language:English Provider:SigmaAldrich

Isopentyl formate Usage And Synthesis

Description

Isoamyl formate has a fruity, characteristic odor suggestive of black currant and plum with a corresponding sweet taste. May be prepared by reacting concentrated H2S04 over a mixture of isoamyl alcohols and sodium formate.

Chemical Properties

Isoamyl formate has a plum, fruity characteristic odor suggestive of black currant, with a corresponding sweet taste.

Chemical Properties

Colorless liquid; fruity odor. Partially soluble in water; soluble in alcohol and ether. Combustible. Sp.Gr. 0.90. B.P. 132℃.

Occurrence

Reported found in apple, pineapple, strawberry, vinegar, Gruyere cheese, chicken fat, beer, cognac, rum, cider, port wine, tea, honey, avocado, plumcot, mango, quince and sea buckthorn (Hippophae rhamnoides L.)

Uses

Isoamyl Formate is a synthetic flavoring agent that is a moderately stable, colorless to light yellow liquid of pungent pear-plum odor, being soluble in most fixed oils, mineral oil, and propylene glycol. Storage should be in a glass or tin container. It is used in fruit flavors such as pear, plum, and peach for application in dessert gels, puddings, candy, and ice cream at 14–28 ppm.

Uses

Artificial fruit syrups.

Preparation

By reacting concentrated H2SO4 over a mixture of isoamyl alcohols and sodium formate.

Definition

ChEBI: The formate ester of isoamylol.

Taste threshold values

Taste characteristics at 15 ppm: sharp green, apple and fruity with winey, fatty notes

Hazard

Strong irritant.

Purification Methods

The colourless liquid ester is soluble in 300 volumes of H2O and is soluble in common organic solvents. It is purified by repeated distillation using an efficient column at atmospheric pressure. [Beilstein 2 H 22, 2 I 18, 2 II 31, 2 III 43, 2 IV 30.]

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