ISOBUTYRIC ACID N-PROPYL ESTER

Synonym(s):n-Propyl-2-methylpropanoate

CAS NO.：644-49-5
Empirical Formula: C7H14O2
Molecular Weight: 130.18
MDL number: MFCD00053781
EINECS: 211-417-4
SAFETY DATA SHEET (SDS)
Update Date: 2023-06-08 17:06:37

ISOBUTYRIC ACID N-PROPYL ESTER Structural

What is ISOBUTYRIC ACID N-PROPYL ESTER?

Chemical properties

Propyl isobutyrate has a pineapple-like odor and a corresponding sweet flavor.

Occurrence

Reported found in several natural products including apple, olive, spineless monkey orange, Gruyere de Comte cheese, honey, hop oil, olives and Roman chamomile oil.

The Uses of ISOBUTYRIC ACID N-PROPYL ESTER

Propyl Isobutyrate finds some use in flavor compositions for imitation Apple, Banana, Gooseberry, Apricot, Mirabelle, Pineapple, Plum, Strawberry, etc. and will constitute about 5 to 25 ppm of the finished product.

Preparation

From propyl alcohol and isobutyric acid in benzene solution in the presence of concentrated H2SO4.

Definition

ChEBI: Propyl 2-methylpropanoate is a carboxylic ester.

Aroma threshold values

Detection: 0.086 to 0.43 ppb

Taste threshold values

Taste characteristics at 5 to 15 ppm: sweet, fruity, with ripe, tropical, tutti-fruiti and citrus melon nuances.

Properties of ISOBUTYRIC ACID N-PROPYL ESTER

Melting point:	-95.2°C (estimate)
Boiling point:	134 °C(lit.)
Density	0.863 g/mL at 25 °C(lit.)
refractive index	n20/D 1.395(lit.)
FEMA	2936 \| PROPYL ISOBUTYRATE
Flash point:	80 °F
form	clear liquid
color	Colorless to Almost colorless
Odor	at 100.00 %. sweet ripe fruity tropical melon berry
JECFA Number	187
CAS DataBase Reference	644-49-5(CAS DataBase Reference)
NIST Chemistry Reference	N-Propyl iso-butyrate(644-49-5)

Safety information for ISOBUTYRIC ACID N-PROPYL ESTER

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. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool.