| Identification | More | [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 | Back Directory | [Appearance]
colourless liquid with a fruity odour | [Melting point ]
-73 °C | [Boiling point ]
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)
| [FEMA ]
2926 | [refractive index ]
n20/D 1.377(lit.)
| [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 | [Odor Type]
ethereal | [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). | [LogP]
1.03-1.18 at 20℃ | [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 | Back Directory | [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 | Back Directory | [Raw materials]
Acetic acid-->Isopropyl alcohol | [Preparation Products]
Hydrocortisone-->5-Azaindole-->4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE-->1-METHANESULFONYL-PIPERAZINE-->Oxendolone-->Estrone-->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-DIMETHYLPHENYLACETONITRILE-->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-->Triamcinolone 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-->Dopamine 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 | Back Directory | [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]
colourless liquid with a fruity odour | [Chemical Properties]
Isopropyl acetate has an intense, fruity odor. On dilution, it has a sweet apple-like flavor. | [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]
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. | [Uses]
Solvent for cellulose derivatives, plastics, oils and fats; in perfumery. | [Application]
Isopropyl acetate is a solvent in chemical industry, especially for cellulose, plastics, waxes, resins, gums, paints, oil and fats. and also as flavoring agent. It is an active component of perfumes and printing inks. It is also employed as an extractant for the preparation of antibiotics, vitamins and hormones. | [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. | [Preparation]
By direct acetylation of isopropyl alcohol in the presence of various catalysts; concentrated H2SO4, diethyl sulfate, chlorosulfonic acid and boron trifluoride. | [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 . | [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 | [Flammability and Explosibility]
Highlyflammable | [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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