Butyl isovalerate Chemical Properties

Melting point:

-92.8°C (estimate)

Boiling point:

175 °C(lit.)

Density 

0.858 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.409(lit.)

FEMA 

2218 | BUTYL ISOVALERATE

Flash point:

145 °F

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 100.00 %. apple pear fruit sweet pineapple green peach

Odor Type

fruity

Odor Threshold

0.012ppm

JECFA Number

198

BRN 

1752803

InChIKey

AYWJSCLAAPJZEF-UHFFFAOYSA-N

LogP

3.18

CAS DataBase Reference

109-19-3(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 3-methyl-, butyl ester(109-19-3)

EPA Substance Registry System

Butyl isovalerate (109-19-3)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

RIDADR 

1993

WGK Germany 

2

RTECS 

NY1502000

HazardClass 

3.2

PackingGroup 

III

HS Code 

29156000

Hazardous Substances Data

109-19-3(Hazardous Substances Data)

MSDS

• Language:English Provider:SigmaAldrich

Butyl isovalerate Usage And Synthesis

Description

Butyl Isovalerate is a clear liquid. Molecularweight =158.27; Boiling point = 150℃; Flash point =53℃. Hazard Identification (based on NFPA 704 M RatingSystem): Health 0, Flammability 2, Reactivity 0. Insolublein water.

Chemical Properties

Butyl isovalerate has an odor reminiscent of the isobutyl ester with a sweet, apple-like taste.

Chemical Properties

Butyl Isovalerate is a clear liquid. B.P. 167℃. Sp.Gr. 0.86. Almost insoluble in water, soluble in Propylene glycol, miscible with alcohol and most oils. Ethereal-fruity, Apple-like, somewhat pungent odor. Sweet-fruity taste, reminiscent of Apple, Raspberry, with a winey note.

Occurrence

Reported found in the oil from leaves of Eriostemon coxii and Phebalium dentatum; also in apricot, banana, cheeses, olive and plum.

Uses

Butyl isovalerate is occasionally used in flavor compositions, mainly in Chocolate flavors and fantasy fruit or Tutti-frutti, etc. Concentrations are normally about 50 ppm in the finished product.

Preparation

By prolonged boiling of the acid with n-butyl alcohol in benzene in the presence of concentrated H2SO4. By direct esterification of n-Butanol with iso-Valerie acid under azeotropic conditions.

Definition

ChEBI: Butyl 3-methylbutanoate is a fatty acid ester.

Taste threshold values

Taste characteristics at 5 ppm: fruity, sweet, pineapple, ripe, musty and green with a slight cheesy nuance.

Potential Exposure

May be used as a specialty solvent; food additive

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.

storage

Color Code—Red: Flammability Hazard: Store in aflammable liquid storage area or approved cabinet away fromButyl isovalerate 479ignition sources and corrosive and reactive materials. Prior toworking with this chemical you should be trained on itsproper handling and storage. Before entering confined spacewhere butyl isovalerate may be present, check to make surethat an explosive concentration does not exist. Store in tightlyclosed containers in a cool, well-ventilated area. Metal containers involving the transfer of this chemical should begrounded and bonded. Where possible, automatically pumpliquid from drums or other storage containers to process containers. Drums must be equipped with self-closing valves,pressure vacuum bungs, and flame arresters. Use only nonsparking tools and equipment, especially when opening andclosing containers of this chemical. Sources of ignition, suchas smoking and open flames, are prohibited where this chemical is used, handled, or stored in a manner that could create apotential fire or explosion hazard

Shipping

UN3272 Ethers, n.o.s., Hazard class: 3; Labels: 3—Flammable liquid. UN1993 Flammable liquids, n.o.s., Hazard Class: 3; Labels: 3—Flammable liquid, Technical Name Required

Incompatibilities

Vapor may form explosive mixture with air. Reaction, possibly violent, on contact with oxidizers. Compounds of the carboxyl group react with all bases, both inorganic and organic (i.e., amines) releasing substantial heat, water and a salt that may be harmful. Incompatible with arsenic compounds (releases hydrogen cyanide gas), diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides (releasing heat, toxic and possibly flammable gases), thiosulfates and dithionites (releasing hydrogen sulfate and oxides of sulfur)

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

Butyl isovalerate(109-19-3)Related Product Information

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