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108-21-4

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Identification

Name
Isopropyl acetate
CAS
108-21-4
Synonyms
1-METHYL ETHYL ACETATE
2-acetoxypropane
ACETIC ACID, 1-METHYLETHYL ESTER
ACETIC ACID ISOPROPYL ESTER
FEMA 2926
ISOPROPYL ACETATE
PROPYL ISO, ACETATE
1-Methylethylethanoate
2-Methylethylethanoate
2-Propyl acetate
2-propylacetate
2-propylethanoate
Acetate d'isopropyle
acetated’isopropyle
acetated’isopropyle(french)
Acetic acid, 2-propyl ester
CH3COOCH(CH3)2
Ethanoicacid,isopropylester
Isopropile(acetato di)
isopropile(acetatodi)
EINECS(EC#)
203-561-1
Molecular Formula
C5H10O2
MDL Number
MFCD00008877
Molecular Weight
102.13
MOL File
108-21-4.mol

Chemical Properties

Appearance
colourless liquid with a fruity odour
Melting point 
-73 °C
mp 
-73 °C
Boiling point 
88.8 °C
bp 
88.8 °C
density 
0.872 g/mL at 25 °C(lit.)
vapor density 
3.5 (vs air)

vapor pressure 
47 mm Hg ( 20 °C)

refractive index 
n20/D 1.377(lit.)

FEMA 
2926
Fp 
62 °F

storage temp. 
Flammables area
solubility 
1 M HCl: soluble50mg/mL, clear to slightly hazy, colorless
form 
Liquid
color 
Clear colorless
Odor
Pleasant, fruity; nonresidual.
Stability:
Stable. Flammable-note low flash point. Incompatible with strong oxidizing agents, strong acids, nitrates, alkali metals. May attack some plastics and rubber.
explosive limit
1.8%, 37°F
Odor Threshold
0.16ppm
Water Solubility 
2.90 g/100 mL
FreezingPoint 
-73.4℃
Sensitive 
Moisture Sensitive
JECFA Number
305
Merck 
14,5205
BRN 
1740761
Exposure limits
TLV-TWA 250 ppm (~950 mg/m3) (ACGIH, MSHA, and OSHA); TLV-STEL 310 ppm (~1185 mg/m3) (ACGIH); IDLH 16,000 ppm (NIOSH).
CAS DataBase Reference
108-21-4(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, 1-methylethyl ester(108-21-4)
EPA Substance Registry System
108-21-4(EPA Substance)

Safety Data

Hazard Codes 
F,Xi
Risk Statements 
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR 
UN 1220 3/PG 2

WGK Germany 
1

RTECS 
AI4930000

Autoignition Temperature
894 °F
TSCA 
Yes
HazardClass 
3
PackingGroup 
II
HS Code 
29153900
Hazardous Substances Data
108-21-4(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 6.75 g/kg (Smyth)
IDLA
1,800 ppm

Raw materials And Preparation Products

Raw materials
Acetic acid glacial-->Isopropanol
Preparation Products
Hydrocortisone-->5-Azaindole-->4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE-->1-METHANESULFONYL-PIPERAZINE-->Oxendolone-->1,3,5(10)-Estratrien-3-ol-17-one-->1H-PYRROLO[2,3-B]PYRIDINE, 2-METHYL--->Benzyl acetate-->Ethyl N-piperazinecarboxylate-->VITAMIN A-->4-(Aminosulfonyl)phenylboronic acid-->Tirofiban-->Pyridoxine hydrochloride-->6,9-Difluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-acetate-->6alpha,9-difluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate -->3beta-hydroxy-5alpha-pregna-9(11),16-dien-20-one 3-acetate -->4-tert-butyl-3-hydroxy-2,6-xylylacetonitrile -->17-hydroxy-6-methylenepregn-4-ene-3,20-dione 17-acetate -->16,17-Epoxy-3,17-dihydroxyestra-1,3,5(10)-triene-3,17-diacetate-->9-fluoro-11beta,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate -->Tetrabenzyl pyrophosphate-->9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-acetate-->16,17-Epoxy-16-methyl pregn-9(11)-en-3-ol-20-one-->16,17-Epoxy-3-hydroxy-16-methyl-pregn-9(11)-ene-20-one-3-acetate-->5-CHLORO-6 B,19-EPOXY-5A-ANDROTANE-3,17-DIONE-->3,17-Dihydroxy-16-methylpregna-5,15-diene-20-one 3-acetate-->9-Bromo-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 21-acetate-->3-Acetyloxy-16,17-epoxy-16-methylpregn-5-en-20-one-->3,17,21-Trihydroxypregna-3,5,9(11)-trien-20-one 3,17,21-triacetate-->17-Ethinylandrost-5-ene-3,17-diol-->5 A-CHLORO-6 B,19-EPOXY-3 B-HYDROXY-5 A-ANDROSTAN-17-ONE-->3-Hydroxytyramine hydrochloride-->19-CARBOXYANDROST-4-ENE-3,17-DIONE-->Aclatonium napadisilate-->9beta,11beta-epoxy-17,21-dihydroxypregn-4-ene-3,20-dione -->19-HYDROXY-4-ANDROSTENE-3,17-DIONE-->ironic ion stabiliger CT^{1~7^}

Hazard Information

General Description
A clear colorless liquid. Flash point 40°F. Vapors are heavier than air. Contact with the material may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used as a solvent.
Reactivity Profile
ISOPROPYL ACETATE(108-21-4) 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 can react vigorously with nitrates, strong oxidizers, strong alkalis and strong acids. This chemical may also attack some forms of rubber, plastics and coatings. .
Air & Water Reactions
Highly flammable. Less dense than water and slightly soluble in water.
Hazard
Flammable, dangerous fire risk.
Health Hazard
Vapors irritate eyes and respiratory tract; high concentrations can be anesthetic. Liquid irritates eyes but causes no serious injury; may cause dermatitis; no serious effects if swallowed.
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.
Description
Isopropyl acetate has an intense, fruity odor. On dilution, it has a sweet apple-like flavor. Synthesized by direct acetylation of isopropyl alcohol in the presence of various catalysts: concentrated H2S04, diethyl sulfate, chlorosulfonic acid, and boron trifluoride.
Chemical Properties
Isopropyl acetate has an intense, fruity odor. On dilution, it has a sweet apple-like flavor.
Chemical Properties
colourless liquid with a fruity odour
Physical properties
Clear, colorless liquid with an aromatic odor. Experimentally determined detection and recognition odor threshold concentrations were 2.1 mg/m3 (500 ppbv) and 3.8 mg/m3 (910 ppbv), respectively (Hellman and Small, 1974).
Occurrence
Reported found in pineapple, pear, cocoa, apple, banana, black currants, grapes, melons, strawberry, cheddar cheese, beer, white wine, red wine, cocoa, honey, soybean, yellow passion fruit, beans, plum brandy and nectarines
Uses
Solvent for cellulose derivatives, plastics, oils and fats; in perfumery.
Uses
Isopropyl acetate is used as a solvent fornitrocellulose, plastics, oils, and fats, and asa flavoring agent. Isopropyl Acetate is a widely used chemical solvent in organic and industrial syntheses. Also used in the dissolution of gallstones. Environmental contaminants; Food contaminants.
Production Methods
Isopropyl acetate is prepared from propylene and anhydrous acetic acid in the presence of a catalyst . It may also be produced by reacting isopropyl alcohol with acetic acid in the presence of catalysts .
Preparation
By direct acetylation of isopropyl alcohol in the presence of various catalysts; concentrated H2SO4, diethyl sulfate, chlorosulfonic acid and boron trifluoride.
Definition
ChEBI: A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.
Aroma threshold values
Detection; 1.7 to 4.4 ppm
Taste threshold values
Taste characteristics at 60 ppm: ethereal, tutti-frutti, with a fruity apple and banana nuance
Synthesis Reference(s)
The Journal of Organic Chemistry, 39, p. 3728, 1974 DOI: 10.1021/jo00939a026
Chemical Reactivity
Reactivity with Water: No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
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. Hydrolyzes in water forming isopropyl alcohol and acetic acid (Morrison and Boyd, 1971). The estimated hydrolysis half-life at 25 °C and pH 7 is 8.4 yr (Mabey and Mill, 1978).
At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 319 mg/L. The adsorbability of the carbon used was 137 mg/g carbon (Guisti et al., 1974).
Purification Methods
Wash the acetate with 50% aqueous K2CO3 (to remove acid), then with saturated aqueous CaCl2 (to remove any alcohol). Dry it with CaCl2 and fractionally distil it. [Beilstein 2 IV 141.]

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