Isopentyl isobutyrate

CAS NO.：2050-01-3
Empirical Formula: C9H18O2
Molecular Weight: 158.24
MDL number: MFCD00053719
EINECS: 218-078-1
SAFETY DATA SHEET (SDS)
Update Date: 2026-04-03 14:17:14

What is Isopentyl isobutyrate?

Chemical properties

colourless liquid with a fruity smell

Chemical properties

3-Methylbutyl-2-methylpropionate has a fruity odor with an undertone reminiscent of apricot and pineapple.

Occurrence

Reported found in banana, feyoa fruit (Feijoa sellowiana), grapes, melon, papaya, corn oil, beer, hop oil, whiskies, white wine, honey, jackfruit, cherimoya and Roman chamomile oil.

The Uses of Isopentyl isobutyrate

Finds limited use in perfumery as a modifier for Amyl phenylacetate and other heavy esters, or as a trace component topnote item. Extensively used in flavor compositions for introduction of light, fruity notes: Apple, Apricot, Banana, Berry, Peach, etc.

Definition

ChEBI: A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.

Preparation

By passing vapors of isobutyl alcohol and isoamyl alcohol over an Ag-activated Cu-MnO catalyst.

Aroma threshold values

Detection: 14 ppb

Taste threshold values

Taste characteristics at 40 ppm: sweet, fruity, green and fatty with a berry nuance.

Properties of Isopentyl isobutyrate

Melting point:	-73°C (estimate)
Boiling point:	169-171 °C(lit.)
Density	0.856 g/mL at 25 °C(lit.)
refractive index	n20/D 1.406(lit.)
FEMA	3507 \| 3-METHYLBUTYL 2-METHYLPROPANOATE
Flash point:	129 °F
Water Solubility	Insoluble in water
form	clear liquid
color	Colorless to Almost colorless
Odor	at 100.00 %. fruity ethereal tropical green grape cherry unripe banana apple cocoa
JECFA Number	49
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
CAS DataBase Reference	2050-01-3(CAS DataBase Reference)
NIST Chemistry Reference	Iso-amyl iso-butyrate(2050-01-3)
EPA Substance Registry System	Isopentyl isobutyrate (2050-01-3)

Safety information for Isopentyl isobutyrate

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02
GHS Hazard Statements	H226:Flammable liquids
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.