1,3-DIMETHYLBUTYL ACETATE Chemical Properties

Melting point:

-80.9°C (estimate)

Boiling point:

144°C

Density 

0,86 g/cm³

vapor pressure 

4 (NIOSH, 1997)

refractive index 

1.4000-1.4020

Flash point:

45°C

solubility 

Soluble in alcohol and ether (Weast, 1986).

form 

Clear liquid

Specific Gravity

0.86

color 

Colorless liquid with a fruity odor

Odor

Fruity; mild, pleasant; mild and nonresidual.

Odor Type

fruity

Water Solubility 

0.008 wt % at 20 °C (NIOSH, 1997)

Henry's Law Constant

(x 10^-3 atm?m³/mol): 9.5 at 20 °C (approximate - calculated from water solubility and vapor pressure)

Exposure limits

NIOSH REL: TWA 50 ppm (300 mg/m³), IDLH 500 ppm; OSHA PEL: TWA 50 ppm; ACGIH TLV: TWA 50 ppm (adopted).

LogP

2.511 (est)

CAS DataBase Reference

108-84-9(CAS DataBase Reference)

EPA Substance Registry System

4-Methyl-2-pentanol, acetate (108-84-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

10-36/37/38

Safety Statements 

16-36/37/39

RIDADR 

3272

OEB

A

OEL

TWA: 50 ppm (300 mg/m3)

RTECS 

SA7525000

HS Code 

2915.39.9000

HazardClass 

3.2

PackingGroup 

III

Hazardous Substances Data

108-84-9(Hazardous Substances Data)

Toxicity

Acute oral LD₅₀ for rats 6,160 mg/kg (quoted, RTECS, 1985).

IDLA

500 ppm

1,3-DIMETHYLBUTYL ACETATE Usage And Synthesis

Description

sec-Hexyl acetate is a colorless liquid with amild, pleasant,fruity odor. Molecular weight= 144.24;Specific gravity (H2O:1) = 0.86; Boiling point= 147.2℃;FreezingMelting point= -63.88C; Relative vapor density(air= 1) = 5.0;V aporpressure = 3 mmHg:Flashpoint = 45℃; Autoignition temperature = 266℃. Explosivelimits: LEL= 0.9%; UEL = 5.7%. Hazard Identification(based onNFPA-704MRating System): Health 1,Flammability 2, Reactivity 0. Insoluble in water.

Chemical Properties

Colorless liquid; mild odor. Insoluble in water; soluble in alcohol. Combustible.

Chemical Properties

All isomers of amyl acetate are highly flammable, colorless to yellow, watery liquids.

Uses

Solvent for nitrocellulose and other lacquers.

Uses

Lacquer industry; fragrances; flavor compositions

Production Methods

sec-Hexyl acetate is produced via catalytic reaction of 4- methyl-2-pentanol and acetic acid. It also occurs naturally in apples and their leaves.

Preparation

by direct esterification of Methyl-iso-butylcarbinol with Acetic acid or Acetic anhydride.

General Description

A clear colorless liquid. Flash point 95°F. Less dense than water and insoluble in water. Vapors heavier than air.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

1,3-DIMETHYLBUTYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. 1,3-DIMETHYLBUTYL ACETATE is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids .

Hazard

Moderate fire risk. Toxic by inhalation.

Health Hazard

Headache, dizziness, nausea, irritation to respiratory passages. Irritates eyes.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Potential Exposure

(n-isomer): Primary irritant (w/o allergic reaction), (sec-isomer) Human Data. Amyl acetates are used as industrial solvents and in the manufacturing and dry-cleaning industry; making artificial fruit-flavoring agents; cements, coated papers, lacquers; in medications as an inflammatory agent; pet repellents, insecticides and miticide. Many other uses.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once andirigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek med-ical 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, includ-ing resuscitation mask) if breathing has stopped and CPRif heart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medi-cal attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit.

Environmental Fate

Chemical/Physical. Slowly hydrolyzes in water forming 4-methyl-2-pentanol and acetic acid.

storage

Color Code- _Red: Flammability Hazard: Store ina flammableliquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with hexyl acetate you should be trainedon its proper handling and storage. Before entering confinedspace where this chemical may be present, check to makesure that an explosive concentration does not exist. Store intightly closedcontainers in a cool, well-ventilated area.Metal containers involving the transfer of this chemicalshould be grounded and bonded. Where possible, automati-cally pump liquid from drums or other storage containers toprocess containers. Drums must be equipped with self-clos-ing valves, pressure vacuum bungs, and flame arresters. Useonly nonsparkingtools and equipment, especially whenopening and closing containers of this chemical. Sources ofignition, such as smoking and open flames, are prohibitedwhere this chemical is used, handled, or stored in a mannerthat couldcreate a potential fire or explosion hazard. .Wherever this chemical is used, handled, manufactured, orstored, useexplosion-proof electricalequipmentandfittings. .

Shipping

UN1993 Flammable liquids, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required.

Incompatibilities

Vapors may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, nitrates. May soften certain plastics.

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. In accordance with 40CFR165, follow recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.

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