Isopentyl formate

Isopentyl formate Basic information
Product Name:Isopentyl formate
Synonyms:Isopentyl forMate >=95.0%;formicacid3-methyl-butylester;Isoamyl methanoate;isoamylmethanoate;Isopentyl alcohol, formate;isopentylalcohol,formate;Iso-Pentylformate,3-Methylbutylformate;ISOAMYL FORMATE 97+% FCC
CAS:110-45-2
MF:C6H12O2
MW:116.16
EINECS:203-769-2
Product Categories:C6 to C7;Carbonyl Compounds;Esters;Building Blocks;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
Mol File:110-45-2.mol
Isopentyl formate Structure
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)
FEMA 2069 | ISOAMYL FORMATE
refractive index n20/D 1.397(lit.)
Fp 86 °F
form clear liquid
color Colorless to Almost colorless
Odorat 10.00 % in dipropylene glycol. plum black currant ethereal vinous dry earthy fruit green
Odor Typegreen
explosive limit8%
Merck 14,5119
JECFA Number42
BRN 1739893
InChIKeyXKYICAQFSCFURC-UHFFFAOYSA-N
LogP1.72
CAS DataBase Reference110-45-2(CAS DataBase Reference)
NIST Chemistry Reference1-Butanol, 3-methyl-, formate(110-45-2)
EPA Substance Registry System1-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
ToxicityLD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964)
MSDS Information
ProviderLanguage
Isoamyl formate English
SigmaAldrich English
Isopentyl formate Usage And Synthesis
DescriptionIsoamyl 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 PropertiesColorless liquid; fruity odor.Partially soluble in water; soluble in alcohol and ether. Combustible.
Chemical PropertiesIsoamyl formate has a plum, fruity characteristic odor suggestive of black currant, with a corresponding sweet taste.
OccurrenceReported 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.)
UsesArtificial fruit syrups.
UsesIsoamyl 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.
DefinitionChEBI: The formate ester of isoamylol.
PreparationBy reacting concentrated H2SO4 over a mixture of isoamyl alcohols and sodium formate.
Taste threshold valuesTaste characteristics at 15 ppm: sharp green, apple and fruity with winey, fatty notes
HazardStrong irritant.
Purification MethodsThe 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 Preparation Products And Raw materials
Raw materials3-Methyl-1-butanol-->Sodium formate-->FUSEL OIL
Preparation ProductsCyclohexanecarboxaldehyde, 2,2,4,4-tetramethyl-6-oxo--->Cyclohexanecarboxaldehyde, 5-methyl-2-oxo-
ISOPULEGYL ACETATE (-)-DIHYDROCARVYL ACETATE (-)-CARVYL PROPIONATE Androstanolone 17-benzoate Isopentyl formate L-CARVYL ACETATE FORMATE ION CHROMATOGRAPHY STANDARD L-MENTHYL ACETATE CYMARIN Isoamyl benzoate Chromium picolinate 20(22),5BETA-CARDENOLID-3BETA,14BETA,16BETA-TRIOL 3,16-DIACETATE 3-Methylbutyl 3-methylbutanoate Isoamyl o-hydroxybenzoate Isoamyl nitrate γ-Methylbutyl nitrate FEMA 2348 ZINC FORMATE Cortisone acetate

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