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ChemicalBook--->CAS DataBase List--->108-84-9

108-84-9

108-84-9 Structure

108-84-9 Structure
IdentificationMore
[Name]

1,3-DIMETHYLBUTYL ACETATE
[CAS]

108-84-9
[Synonyms]

1,3-DIMETHYLBUTYL ACETATE
4-METHYL-2-PENTANOL ACETATE
4-METHYL-2-PENTYL ACETATE
ACETIC ACID 1,3-DIMETHYLBUTYL ESTER
ACETIC ACID 4-METHYL-2-PENTYL ESTER
METHYL AMYL ACETATE
sec-Hexyl acetate
1,3-dimethylbutyl
1,3-Dimethylbutyl ethanoate
1,3-Dimethylbutylester kyseliny octove
1,3-dimethylbutylesterkyselinyoctove
2-Pentanol, 4-methyl-, acetate
2-Pentanol,4-methyl-,acetate
4-Methyl-2-amyl acetate
4-methyl-2-pentanoacetate
4-Methylpent-2-yl acetate
Methylisoamyl acetate
methylisoamylacetate
Methylisobutylcarbinol acetate
methylisobutylcarbinolacetate
[EINECS(EC#)]

203-621-7
[Molecular Formula]

C8H16O2
[MDL Number]

MFCD00053723
[Molecular Weight]

144.21
[MOL File]

108-84-9.mol
Chemical PropertiesBack Directory
[Appearance]

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

45°C
[solubility ]

Soluble in alcohol and ether (Weast, 1986).
[form ]

Clear liquid
[color ]

Colorless liquid with a fruity odor
[Specific Gravity]

0.86
[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)
[Uses]

Solvent for nitrocellulose and other lacquers.
[CAS DataBase Reference]

108-84-9(CAS DataBase Reference)
[EPA Substance Registry System]

4-Methyl-2-pentanol, acetate (108-84-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[OEB]

A
[OEL]

TWA: 50 ppm (300 mg/m3)
[RIDADR ]

3272
[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
Hazard InformationBack Directory
[General Description]

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

METHYLAMYL ACETATE(108-84-9) 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. This compound is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids .
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Hazard]

Moderate fire risk. Toxic by inhalation.
[Health Hazard]

Headache, dizziness, nausea, irritation to respiratory passages. Irritates eyes.
[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.
[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.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[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.
[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]

All isomers of amyl acetate are highly flammable, colorless to yellow, watery liquids.
[Chemical Properties]

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

by direct esterification of Methyl-iso-butylcarbinol with Acetic acid or Acetic anhydride.
[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.
[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.
[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. .
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

sec-hexyl acetate(108-84-9).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DIMETHYLBUTYL ACETATE(108-84-9)MS
1,3-DIMETHYLBUTYL ACETATE(108-84-9)1HNMR
1,3-DIMETHYLBUTYL ACETATE(108-84-9)13CNMR
1,3-DIMETHYLBUTYL ACETATE(108-84-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

108-84-9(sigmaaldrich)
[TCI AMERICA]

4-Methyl-2-pentyl Acetate,>98.0%(GC)(108-84-9)
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