Isobutyl acetate

Isobutyl acetate Basic information
description Chemical Properties Uses Content Analysis Toxicity Limited use Production method
Product Name:Isobutyl acetate
Synonyms:Isobutyl acetate, FCC and food grade;isobutylacetate,2-methylpropylacetate;ISOBUTYL ACETATE(SG);Essigsureisobutylester;ISOBUTYL ACETATE WITH GC;Isolbutyl acetate;ISOBUTYL ACETATE, NATURAL;Isobutyl acetate,98%
CAS:110-19-0
MF:C6H12O2
MW:116.16
EINECS:203-745-1
Product Categories:Pharmaceutical intermediates;Alpha Sort;Alphabetic;Chemical Class;E-LAnalytical Standards;EstersAnalytical Standards;ester Flavor;Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L;I;Volatiles/ Semivolatiles;110-19-0
Mol File:110-19-0.mol
Isobutyl acetate Structure
Isobutyl acetate Chemical Properties
Melting point -99 °C (lit.)
Boiling point 115-117 °C (lit.)
density 0.867 g/mL at 25 °C (lit.)
vapor density >4 (vs air)
vapor pressure 15 mm Hg ( 20 °C)
refractive index n20/D 1.39(lit.)
FEMA 2175 | ISOBUTYL ACETATE
Fp 71 °F
storage temp. Store below +30°C.
solubility water: soluble5.6g/L at 20°C
form Liquid
color Clear
PH5 (4g/l, H2O, 20℃)
PH Range7
OdorAgreeable fruity odor in low concentrations, disagreeable in higher concentrations; mild, characteristic ester; nonresidual.
Odor Threshold0.008ppm
Odor Typefruity
explosive limit2.4-10.5%(V)
Water Solubility 7 g/L (20 ºC)
Merck 14,5130
JECFA Number137
BRN 1741909
Henry's Law Constant(x 10-4 atm?m3/mol): 4.85 at 25 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limitsTLV-TWA 150 ppm (~700 mg/m3) (ACGIH, MSHA, and OSHA); IDLH 7500 ppm (NIOSH).
LogP2.3 at 25℃
CAS DataBase Reference110-19-0(CAS DataBase Reference)
NIST Chemistry ReferenceIsobutyl acetate(110-19-0)
EPA Substance Registry SystemIsobutyl acetate (110-19-0)
Safety Information
Hazard Codes F
Risk Statements 11-66
Safety Statements 16-23-25-29-33
RIDADR UN 1213 3/PG 2
WGK Germany 1
RTECS AI4025000
Autoignition Temperature793 °F
TSCA Yes
HS Code 2915 39 00
HazardClass 3
PackingGroup II
Hazardous Substances Data110-19-0(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 13400 mg/kg LD50 dermal Rabbit > 17400 mg/kg
IDLA1,300 ppm [10% LEL]
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
Isobutyl acetate Usage And Synthesis
descriptionIsobutyl acetate, also known as n-propyl acetate, is the esterfication product between acetic acid and 2-butanol. It is a water-white liquid with flavor of soft fruit ester. It is slightly soluble in water, miscible with ethanol, ethyl ether as well as many other kinds of organic solvent including alcohol, ether and hydrocarbon. It can be mainly used as the diluent of nitro-lacquer and perchlorethylene paint and the solvents of nitrocellulose and lacquer as well as the substitution solvent of butyl acetate and methyl isobutyl ketone. It can also be used as a component of the flavoring agent. It can also be used as the diluent of plastic printing paste and the extraction agent in the pharmaceutical industry.
Sec-butyl acetate has excellent capability of dissolving many substances. It can be industrially applied as the solvent for manufacturing of nitrocellulose paint, acrylic paint, polyurethane paint, etc., these paints can also be used as an aircraft wing paint, artificial leather coatings and automotive coatings. Its dissolving capability is similar as n-butyl acetate and isobutyl acetate. In the coating formulation, it can be widely adopted for substitution of n-butyl acetate and isobutyl acetate. In metallic paints, people can apply butyl acetate to dissolve the cellulose acetate butyrate to obtain 15% to 20% solution.
The above information is edited by the chemicalbook of Dai Xiongfeng.
Chemical PropertiesIt is a water-white liquid with soft fruit ester flavor. It is miscible with a variety of organic solvents such as alcohols, ethers and hydrocarbons.
UsesIsobutyl Acetate can be used as organic solvent, the solvent of nitrocellulose and lacquer, extraction agent, dehydrating agents. It can also be applied to collodion, nitrocellulose, varnishes, leather, pharmaceuticals, plastics and perfume industry.
Content AnalysisIt can be determined according to the method 1 in ester assay (OT-18). The amount of the sample for taking is 1g. The equivalency factor (e) for the calculation can be taken as 58.08. Alternatively, people can apply non-polar column method via gas chromatography (GT-10-4) for the determination.
The above information is edited by the chemicalbook of Dai Xiongfeng.
ToxicityLD50: 13400 mg/kg (rat, oral).
GRAS (FEMA).
Limited useFEMA (mg/kg): soft drinks: 11; cold drink: 16; Confectionery: 36; Bakery: 35; pudding class: 170; gum: 860; coating: 5.5.
Take appropriate amount as limit (FDA§172.515,2000).
Production methodIt can be obtained via the esterfication between iso-butanol and acetic anhydride in the presence of sulfuric acid. Mix the acetic anhydride and iso-butanol solution followed by adding drop wise of sulfuric acid. Heat for reflux of 5-6 h after a bit cooling, wash the refluxed liquid with water for 2-3 times. Use sodium carbonate for neutralizing with sodium carbonate, wash with water until neutralized, dry over calcium chloride with vacuum distillation in oil bath to derive the finished products.
DescriptionIsobutyl acetate has a fruity (currant-pear), floral (hyacinth-rose) odor and a characteristic ether-like, slightly bitter flavor. May be prepared by direct esterification of isobutyl alcohol with acetic acid.
Chemical PropertiesButyl acetates are colorless or yellowish liquids with pleasant, fruity odors. There are 4 isomers.
Chemical PropertiesIsobutyl acetate is a colorless liquid with a fruit flavor. Isobutyl acetate is moisture sensitive, incompatible with ignition sources, moisture, excess heat, strong oxidizing agents, and strong bases; on decomposition, it releases carbon monoxide and carbon dioxide. It is used for nitrification fiber and paint solvents, chemical reagents, and modulation spices
Chemical PropertiesIsobutyl acetate, also known as 2-methylpropyl ethanoate (IUPAC name) or β-methylpropyl acetate, is a common solvent. It is produced from the esterifi cation of isobutanol with acetic acid. It is used as a solvent for lacquer and nitrocellulose. Like many esters, it has a fruity or fl oral smell at low concentrations and occurs naturally in raspberries, pears, and other plants. At higher concentrations, the odor can be unpleasant and may cause symptoms of CNS depression, such as nausea, dizziness, and headache
Physical propertiesColorless liquid with a fruity odor. Experimentally determined detection and recognition odor threshold concentrations were 1.7 mg/m3 (360 ppbv) and 2.4 mg/m3 (510 ppbv), respectively (Hellman and Small, 1974).
OccurrenceReported found in, apple, apricot, banana, currants, guava, grapes, melon, pear, blackcurrant, papaya, pineapple, strawberry, vinegar, wheat bread, Parmesan and Gruyere cheese, beef fat, beer, cognac, rum, cider, whiskies, sherry, grape wines, port, olive, cocoa, passion fruit, plum, starfruit, bantu beer, plum and grape brandy, mango, tamarind, apple brandy, figs, plum wine, litchi, sake, nectarine, naranjilla fruit, Cape gooseberry and Roman chamomile oil.
UsesSolvent; flavoring
UsesIsobutyl acetate is used as a solvent and as aflavoring agent.
UsesIsobutyl Acetate is a flavoring agent that is a clear colorless liquid with a fruity odor resembling banana when diluted. it is soluble in alcohol, propylene glycol, most fixed oils, and mineral oil, and slightly soluble in water. it is obtained by synthesis.
DefinitionChEBI: The acetate ester of isobutanol.
PreparationBy direct esterification of isobutyl alcohol with acetic acid.
Production MethodsIsobutyl acetate may be made from methyl isobutyl ketone. It may also be made by treating isobutanol with acetic acid in the presence of catalysts. The Tischenko reaction of acetaldehyde with isobutyraldehyde yields a mixture of isobutyl acetate with ethyl acetate and isobutyl isobutyrate.
Aroma threshold valuesDetection: 65 to 880 ppb
Taste threshold valuesTaste characteristics at 30 ppm: sweet fruity with a banana tutti-frutti note.
General DescriptionA clear colorless liquid with a fruity odor. Flash point 64°F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air .
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity ProfileIsobutyl acetate reacts exothermically with acids to give alcohols and other acids. May react sufficiently exothermically with strong oxidizing acids to ignite the reaction products. Reactions with bases also generate heat. Combination with strong reducing agents (alkali metals and hydrides) generates flammable hydrogen.
HazardFlammable, dangerous fire risk.
Health HazardVapors may irritate upper respiratory tract and cause nausea, vomiting, dizziness and loss of consciousness. Liquid irritates eyes and may irritate skin.
Health HazardIsobutyl acetate is more toxic but less of anirritant than n-butyl acetate. The toxic symp toms include headache, drowsiness, irritationof upper respiratory tract, and anesthesia.A 4-hour exposure to 8000 ppm was lethalto rats. It produced mild to moderate irri tation on rabbits’ skin. The irritation ineyes was also mild to moderate. The LD50oral value in rabbit is within the range4800 mg/kg.
Fire HazardHIGHLY 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.
Flammability and ExplosibilityNotclassified
Chemical ReactivityReactivity with Water No reaction; Reactivity with Common Materials: Softens and dissolves many types of plastics; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Biochem/physiol ActionsTaste at 10 ppm
Potential Exposuren-Butyl acetate is an important solvent in the production of lacquers, leather and airplane dopes, and perfumes. It is used as a solvent and gasoline additive. sec-Butyl acetate is used as a widely used solvent for nitrocellulose, nail enamels and many different purposes. tert-Butyl acetate is common industrial solvent used in the making of lacquers, artificial leather, airplane dope, perfume; and as a food additive. Isobutyl acetate is used as a solvent and in perfumes and artificial flavoring materials
SourceA product of whiskey fermentation (quoted, Verschueren, 1983). Isobutyl acetate was identified as a volatile constituent released by fresh coffee beans (Coffea canephora variety Robusta) at different stages of ripeness (Mathieu et al., 1998).
Environmental fateChemical/Physical. Slowly hydrolyzes in water forming 2-methylpropanol and acetic acid.
At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 180 mg/L. The adsorbability of the carbon used was 164 mg/g carbon (Guisti et al., 1974).
ShippingUN1123 Butyl acetates, Hazard Class: 3; Labels: 3—Flammable liquid.
IncompatibilitiesAll butyl acetates are incompatible with nitrates, strong oxidizers; strong alkalies; strong acids. Butyl acetates may form explosive mixture with air; reacts with water, on standing, to form acetic acid and n-butyl alcohol. Violent reaction with strong oxidizers and potassium-tert-butoxide. Dissolves rubber, many plastics, resins and some coatings. May accumulate static electrical charges, and may cause ignition of its vapors
Waste DisposalDissolve 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.
Isobutyl acetate Preparation Products And Raw materials
Raw materials2-Methyl-1-propanol-->AC-PHE-OME-->Methyl L-phenylalaninate hydrochloride
Preparation ProductsIsobutyl acetoacetate-->Nitrocellulose lacquer thinner-->ETHANOL-1,1-D2
tert-Butyl acetate Ethyl acetate DL-sec-Butyl acetate Vinyl acetate Tocopheryl acetate Phenylacetic acid isobutyl ester Isobutyl stearate Isobutyl cinnamate Butyl acetate ACETATE Glatiramer acetate tert-Butyl bromoacetate Isobutyl acrylate Potassium Acetate Isobutyl acetate Methyl acetate Isobutyl acetoacetate isobutyl oleate Isobutyl Ethanoate

Email:[email protected] [email protected]
Copyright © 2024 Mywellwork.com All rights reserved.