ChemicalBook Product Catalog Flavors and fragrances Synthetic fragrances Carboxylic acids and esters Aliphatic dicarboxylic acid esters Isopentyl formate

Isopentyl formate

Product NameIsopentyl formate
CAS110-45-2
MFC6H12O2
MW116.16
EINECS203-769-2
MOL File110-45-2.mol

Chemical Properties

Melting point	−93.5 °C (−136.3 °F; 179.7 K)
Boiling point	123.00 to 124.00 °C (253.40 to 255.20 °F; 396.15 to 397.15 K)
Density	0.881−0.889 g/cm3
vapor pressure	10 mm Hg ( 17.1 °C)
FEMA	2069 \| ISOAMYL FORMATE
refractive index	1.396−1.400
Flash point	27 °C
form	liquid
color	Colorless
Odor	at 10.00 % in dipropylene glycol. plum black currant ethereal vinous dry earthy fruit green
Odor Type	green
biological source	synthetic
explosive limit	8%
Merck	14,5119
JECFA Number	42
BRN	1739893
Henry's Law Constant	1.2×10^-2 mol/(m³Pa) at 25℃, Plyasunov et al. (2004)
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
InChIKey	XKYICAQFSCFURC-UHFFFAOYSA-N
SMILES	[H]C(=O)OCCC(C)C
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 (AMYL FORMATES)
WGK Germany	1
RTECS	NT0185000
TSCA	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29151300
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3
Toxicity	LD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964)

MSDS

Provider	Language
Isoamyl formate	English
SigmaAldrich	English

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.]

Isopentyl formate

Chemical Properties

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MSDS

Usage And Synthesis

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