Isoamyl Acetate

Isoamyl acetate's cas code is 123-92-2

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Product Description

Isoamyl acetate Basic information

Chemical properties Uses Production method Content analysis Toxicity Usage limit Hazards & Safety Information

Product Name:	Isoamyl acetate
Synonyms:	Iso-aMyl acetate Iso >= 99.0%, natural;IsoaMyl acetate, SuperDry, J&KSeal;IsoaMyl acetate, 99%, SpcDry, Water≤50 ppM (by K.F.), SpcSeal;Acetic acid-3-;Isopentyl acetate reagent grade, 98%;3-Methylbutyl Acetate〔Isopentyl Acetate〕;Isoamyl acetate EMPLURA.;1-Butanol,3-methyl-,acetate
CAS:	123-92-2
MF:	C7H14O2
MW:	130.18
EINECS:	204-662-3
Product Categories:	Pyridines;Anhydrous Solvents;Solvent Bottles;Solvent by Application;Solvent Packaging Options;Solvents;Sure/Seal Bottles;Analytical Chemistry;Solvents for HPLC & Spectrophotometry;Solvents for Spectrophotometry
Mol File:	123-92-2.mol

Isoamyl acetate Chemical Properties

Melting point	-78 °C
Boiling point	142 °C756 mm Hg(lit.)
density	0.876 g/mL at 25 °C(lit.)
vapor density	4.5 (vs air)
vapor pressure	5 mm Hg ( 25 °C)
FEMA	2055 \| ISOAMYL ACETATE
refractive index	n20/D 1.4(lit.)
Fp	77 °F
storage temp.	Flammables area
solubility	ethanol: soluble1ml/3ml, clear, colorless (60%ethanol)
form	neat
explosive limit	1-10%(V)
Water Solubility	0.20 g/100 mL. Slightly soluble
JECFA Number	43
Merck	14,5111
BRN	1744750
Henry's Law Constant	10.25 at 37 °C (static headspace-GC, Bylaite et al., 2004)
Exposure limits	TLV-TWA 100 ppm (～530 mg/m3) (ACGIH, MSHA, and OSHA); TLV-STEL 125 ppm (～655 mg/m3); IDLH 3000 ppm (NIOSH).
CAS DataBase Reference	123-92-2(CAS DataBase Reference)
NIST Chemistry Reference	1-Butanol, 3-methyl-, acetate(123-92-2)
EPA Substance Registry System	Isoamyl acetate (123-92-2)

Isoamyl acetate Safety Information

Hazard Codes	Xi
Risk Statements	10-66-36/37/38-R66-R10
Safety Statements	23-25-2-36/37/39-26-16-S25-S23-S2
RIDADR	UN 1104 3/PG 3
WGK Germany	1
RTECS	NS9800000
Autoignition Temperature	680 °F
TSCA	Yes
HazardClass	3
PackingGroup	III
HS Code	29153900
Hazardous Substances Data	123-92-2(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rat > 5000 mg/kg

Isoamyl acetate Usage And Synthesis

Chemical properties	Isoamyl acetate appears as colorless transparent liquid with pleasant banana aroma, being volatile. It is miscible with ethanol, ethyl ether, benzene, carbon disulfide and other organic solvents, being almost insoluble in water.
Production method	Isoamyl acetate is obtained through the esterification between the acetate with the isoamyl alcohol separated from the fusel oil under the catalysis of sulfuric acid. It is derived from the esterification between acetic acid and isoamyl alcohol. In the mixture of acetic acid and amyl alcohol, add sulfuric acid for esterification reaction, followed by neutralization with sodium carbonate (or caustic soda) with further calcium chloride dehydration to obtain the crude ester, and then refined by distillation to derive the finished products. Isoamyl acetate is presented in bananas and cocoa beans and is commercially manufactured using pentanol separated from fusel oil as raw materials. Isoamyl alcohol and sulfuric acid have been added to glacial acetic acid for heating reflux reaction. When the temperature of the top of the column reached 132 °C, the esterification was complete. After cooling, wash with water, and neutralize with 10% NaOH solution and then washed with water to neutral, and finally dried with anhydrous calcium chloride after distillation, collecting 138~143 ° C fractions, being the product. CH3COOH (CH3) 2CHCH2CH2OH [H2SO4] → CH3COOCH2CH2CH (CH3) 2 + H2O
Content analysis	This was determined by the method I in the ester assay (OT-18). The amount of sample taken was 800 mg. The equivalent factor (e) in the calculation is 65.10. Alternatively, apply the non-polar column in the gas chromatography (GT-10-4) for measurement;
Toxicity	ADI 0 to 3.7 (FAO/WHO, 1994); LD5016.6 g/kg (rat, oral);
Usage limit	FEMA (mg/kg): soft drinks 28; cold drinks 56; candy 190; baked goods 120; pudding 100; take appropriate amount as limit (FDA § 172.515, 2000);
Hazards & Safety Information	Category: Flammable liquids Toxicity classification: Low toxicity Acute Toxicity: Oral-Rat LD50: 16600 mg/kg EXPLOSIVES HAZARDOUS CHARACTERISTICS: it is explosive if its vapors are blended with air Flammability and Hazardous characteristics: it is easily flammable with burning releasing irritant smoke Storage and transportation characteristics: Treasury: ventilated, low temperature and dry; store and transport it separately from oxidant. Extinguishing agent: dry powder, carbon dioxide, foam, mist water Occupational Standard: TWA 525 mg/m3; STEL 650 mg/m3
Description	In commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal. Isoamyl acetate has a powerful, fruity odor with a bittersweet taste reminiscent of pear. If impure, the odor is strong, penetrating, and almost shocking. Usually prepared by esterification of commercial isoamyl alcohol with acetic acid.
Chemical Properties	Isoamyl Acetate is a strongly fruity-smelling liquid and has been identified in many fruit aromas. It is the main component of banana aroma and is, therefore, also used in banana flavors. All isomers of amyl acetate are highly flammable, colorless to yellow, watery liquids. Isoamyl acetate has a fruity, banana, sweet, fragrant, powerful odor with a bittersweet taste reminiscent of pear. If impure, the odor is strong, penetrating and almost shocking. In commercial practice, amyl invariably means isoamyl.
Physical properties	Clear, colorless liquid with a banana or pear-like odor. Odor threshold concentration is 7 ppm (quoted, Keith and Walters, 1992). A detection odor threshold concentration of 18 μg/m3 (3.4 ppbv) was determined by Katz and Talbert (1930).
Uses	Isoamyl acetate is used to impart pear flavorto mineral waters and syrups, in perfumes, inthe manufacture of artificial silk or leather, inphotographic films, in dyeing textiles, and asa solvent.
Uses	banana oil is a carrier oil. The banana family is of more interest for its nutritional value rather than for its botanical properties. The use of plantain juice as an antidote for snake bites has been reported in parts of Southeast Asia since 1916.
Uses	Sting pheromone of the honeybee.1
Uses	In alcohol solution as a pear flavor in mineral waters and syrups; as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid, and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacture of artificial silk, leather or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dyeing and finishing textiles. A special grade of the amyl acetate has been used for burning in the Hefner lamp serving as a photometric standard.
Definition	ChEBI: The acetate ester of isoamylol.
Production Methods	The commerical-grade isoamyl acetate is prepared by the esterification of amyl alcohol (often fusel oil) with acetic acid and a small amount of sulfuric acid as the catalyst .
Production Methods	The commerical-grade isoamyl acetate is prepared by the esterification of amyl alcohol (often fusel oil) with acetic acid and a small amount of sulfuric acid as the catalyst.
Taste threshold values	FEMA PADI: 24.491 mg
General Description	Oily liquid; colorless; banana odor. Floats and mixes with water. Flammable, irritating vapor is produced .
Air & Water Reactions	Highly flammable. Insoluble in water.
Reactivity Profile	Isoamyl 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. Isoamyl acetate can react violently with oxidizing materials, nitrates, strong alkalis and strong acids.
Hazard	Flammable, moderate fire risk. Irritant. Explosive limits in air 1–7.5%.
Health Hazard	Isoamyl acetate exhibits low toxicity; thetoxic effects are comparable to those of n amyl acetate. The toxic symptoms includeirritation of the eyes, nose, and throat;fatigue; increased pulse rate; and narcosis.Inhalation of its vapors at 1000 ppm for30 minutes may cause irritation, fatigue, andrespiratory distress in humans. It is more narcotic than are the lower acetic esters. TheLD50 value in rabbits is on the order of7000 mg/kg.
Fire Hazard	FLAMMABLE. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. When heated emits acrid fumes. When exposed to flames can react vigorously with reducing materials.
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.
Carcinogenicity	Not listed by ACGIH, California Proposition 65, IARC, NTP, or OSHA.
Source	Identified among 139 volatile compounds identified in cantaloupe (Cucumis melo var. reticulates cv. Sol Real) using an automated rapid headspace solid phase microextraction method (Beaulieu and Grimm, 2001).
Environmental fate	Chemical/Physical. Slowly hydrolyzes in water forming 3-methyl-1-butanol and acetic acid.
Shipping	UN1993 Flammable liquids, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required.
Purification Methods	Dry the acetate with finely divided K2CO3 and fractionally distil it. [Beilstein 2 IV 157.]
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.