ChemicalBook Product Catalog Chemical Reagents Organic reagents Esters Propyl Ester compound Propyl butyrate

Propyl butyrate

Product NamePropyl butyrate
CAS105-66-8
MFC7H14O2
MW130.18
EINECS203-320-0
MOL File105-66-8.mol

Chemical Properties

Melting point	95°C
Boiling point	142-143 °C (lit.)
Density	0.873 g/mL at 25 °C (lit.)
FEMA	2934 \| PROPYL BUTYRATE
refractive index	n20/D 1.4(lit.)
Flash point	102 °F
storage temp.	Flammables area
form	clear liquid
color	Colorless to Almost colorless
Odor	at 100.00 %. fruity sweet apricot pineapple rancid sweaty
Odor Type	fruity
Odor Threshold	0.011ppm
biological source	synthetic
Water Solubility	1.614g/L(17 ºC)
Merck	14,7846
JECFA Number	150
BRN	1745552
Henry's Law Constant	1.8×10^-2 mol/(m³Pa) at 25℃, Brockbank (2013)
Dielectric constant	4.3（20℃）
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
InChIKey	HUAZGNHGCJGYNP-UHFFFAOYSA-N
SMILES	CCCOC(=O)CCC
LogP	2.30
CAS DataBase Reference	105-66-8(CAS DataBase Reference)
NIST Chemistry Reference	Butanoic acid, propyl ester(105-66-8)
EPA Substance Registry System	Butanoic acid, propyl ester (105-66-8)

Safety Information

Hazard Codes	Xi
Risk Statements	10-36/37/38
Safety Statements	16-26-36
RIDADR	UN 3272 3/PG 3
WGK Germany	2
RTECS	ET6200000
TSCA	TSCA listed
HazardClass	3.2
PackingGroup	III
HS Code	29156000
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3
Toxicity	LD50 orally in rats: 15,000 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964)

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

Chemical Properties

Clear colorless liquid

Chemical Properties

Propyl butyrate has a pineapple and apricot-like odor with a sweet, fruity flavor of banana and pineapple. The odor is also described as sharp, pungent, rancid, sweaty and sickening.

Occurrence

Reported found in fresh apple, cooked apple, apricot, banana, lemon papaya, Camembert cheese, Gruyere de Comte cheese, provolone cheese, purple passion fruit juice, apple juice, rum, fresh plums, jack fruit, ceriman or pinanona (Monstera deliciosa Liebm.), papaya, spineless monkey orange, starfruit, kiwifruit, wood apple and cherimoya.

Uses

Solvent mixture for cellulose ethers.

Definition

ChEBI: Propyl butyrate is a butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid. It has a role as a human metabolite, a plant metabolite and an insect attractant. It is functionally related to a propan-1-ol.

Preparation

From propyl alcohol and butyric acid in the presence of p-toluenesulfonic acid in benzene solution at the boil.

Aroma threshold values

Detection: 0.8 to 124 ppb

Taste threshold values

Taste characteristics at 20 ppm: sweet, fruity, tutti-frutti, bubble gum and pineapple-like, with a slight green nuance.

Synthesis Reference(s)

The Journal of Organic Chemistry, 58, p. 6421, 1993 DOI: 10.1021/jo00075a043

General Description

Natural Occurrence: Apple, banana, kiwi, melon, papaya, passion fruit, rum and strawberry.

Hazard

Irritant to mucous membranes, narcotic in high concentration.

Biochem/physiol Actions

Taste at 20 ppm

Preparation Products And Raw materials

Propyl butyrate Supplier

Propyl butyrate manufacturers

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