ChemicalBook CAS DataBase List 110-45-2

110-45-2

Name	Isopentyl formate
CAS	110-45-2
EINECS(EC#)	252-343-2
Molecular Formula	C6H12O2
MDL Number	MFCD00021049
Molecular Weight	116.16
MOL File	110-45-2.mol

Synonyms

3-METHYLBUTYL FORMATE AMYL FORMATE FEMA 2069 FORMIC ACID ISOAMYL ESTER FORMIC ACID ISOPENTYL ESTER ISOAMYL FORMATE ISOPENTYL FORMATE ISOPENTYL METHANOATE lsoamyl formate PENTYL ISO FORMATE 1-Butanol,3-methyl-,formate 3-methyl-1-butanoformate 3-methyl-1-butylformate formicacid3-methylbutylester formicacid3-methyl-butylester Isoamyl methanoate isoamylmethanoate Isopentyl alcohol, formate isopentylalcohol,formate Iso-Pentylformate,3-Methylbutylformate

Chemical Properties

Appearance	Colorless liquid; fruity odor.Partially soluble in water; soluble in alcohol and ether. Combustible.
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)
FEMA	2069
refractive index	n20/D 1.397(lit.)
Fp	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
biological source	synthetic
explosive limit	8%
Odor Type	green
JECFA Number	42
Merck	5119
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
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. less more
CAS DataBase Reference	110-45-2(CAS DataBase Reference)
NIST Chemistry Reference	1-Butanol, 3-methyl-, formate(110-45-2)
EPA Substance Registry System	110-45-2(EPA Substance)

Safety Data

Hazard Codes	Xi
Risk Statements	R10:Flammable. R36/37:Irritating to eyes and respiratory system . less more
Safety Statements	S24:Avoid contact with skin . S2:Keep out of the reach of children . less more
RIDADR	UN 1109 3/PG 3
WGK Germany	1
RTECS	NT0185000
TSCA	TSCA listed
HazardClass	3.2
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) less more

Raw materials And Preparation Products

Hazard Information

Hazard

Strong irritant.

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

Colorless liquid; fruity odor.Partially soluble in water; soluble in alcohol and ether. Combustible.

Chemical Properties

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

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.)

Definition

ChEBI: The formate ester of isoamylol.

Preparation

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

Taste threshold values

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

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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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