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Isopropyl acetate

Product Name
Isopropyl acetate
CAS No.
108-21-4
Chemical Name
Isopropyl acetate
Synonyms
IPAC ;IPrOAc;FEMA 2926;paracetat;CH3COOCH(CH3)2;2-propylacetate;Ispropyl acetat;Isopropylacetat;2-acetoxypropane;2-Propyl acetate
CBNumber
CB6852740
Molecular Formula
C5H10O2
Formula Weight
102.13
MOL File
108-21-4.mol
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Isopropyl acetate Property

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 | ISOPROPYL ACETATE
refractive index 
n20/D 1.377(lit.)
Flash point:
62 °F
storage temp. 
Store below +30°C.
solubility 
1 M HCl: soluble50mg/mL, clear to slightly hazy, colorless
form 
Liquid
color 
Clear colorless
Odor
Pleasant, fruity; nonresidual.
Odor Threshold
0.16ppm
explosive limit
1.8%, 37°F
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).
Stability:
Stable. Flammable - note low flash point. Incompatible with strong oxidizing agents, strong acids, nitrates, alkali metals. May attack some plastics and rubber.
CAS DataBase Reference
108-21-4(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, 1-methylethyl ester(108-21-4)
EPA Substance Registry System
Isopropyl acetate (108-21-4)
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Safety

Hazard Codes 
F,Xi
Risk Statements 
11-36/37/38-67-66-36
Safety Statements 
16-26-36-33-29
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)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H225Highly Flammable liquid and vapour

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

H336May cause drowsiness or dizziness

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P370+P378In case of fire: Use … for extinction.

P405Store locked up.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.20560
Product name
Isopropyl acetate
Purity
for synthesis
Packaging
100 mL
Price
$37.09
Updated
2021/03/22
Sigma-Aldrich
Product number
45960
Product name
Isopropyl acetate
Purity
puriss. p.a., ≥99.5% (GC)
Packaging
250 mL
Price
$44.7
Updated
2021/03/22
Sigma-Aldrich
Product number
8.20560
Product name
Isopropyl acetate
Purity
for synthesis
Packaging
1 L
Price
$66.97
Updated
2021/03/22
Sigma-Aldrich
Product number
W292605
Product name
Isopropyl acetate
Purity
≥99%, FCC
Packaging
1 kg
Price
$70
Updated
2021/03/22
Sigma-Aldrich
Product number
112992
Product name
Isopropyl acetate
Purity
98%
Packaging
1l
Price
$115
Updated
2021/03/22
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Isopropyl acetate Chemical Properties,Usage,Production

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.

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.

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

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.

Air & Water Reactions

Highly flammable. Less dense than water and slightly soluble in water.

Reactivity Profile

Isopropyl 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. Isopropyl acetate can react vigorously with nitrates, strong oxidizers, strong alkalis and strong acids. Isopropyl acetate may also attack some forms of rubber, plastics and coatings. .

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.

Health Hazard

Isopropyl acetate is an irritant to the eyes,nose, and throat. The acute toxicity in laboratory animals was low. Exposure to highconcentrations in air or ingestion can produce narcotic effects. A 4-hour exposure to aconcentration of 32,000 ppm in air was fatalto rats (ACGIH 1986). The oral LD50 valuein rats is in the range 6000 mg/kg.

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.

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.]

Isopropyl acetate Preparation Products And Raw materials

Raw materials

Preparation Products

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

Yixing Kaixin Chemical Co., Ltd
Tel
0510-87551792-
Email
kaixinchem@163.com
Country
China
ProdList
1
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58
Shanghai Aladdin Bio-Chem Technology Co.,LTD
Tel
021-20337333-801
Fax
021-50323701
Email
market@aladdin-e.com
Country
China
ProdList
24980
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65
Mei Lan Industrial (Shanghai) Co., Ltd.
Tel
021-61500788
Fax
021-58957967
Email
wouchina@126.com
Country
China
ProdList
2680
Advantage
55
Changzhou Xiaqing Technological Co., Ltd.
Tel
+86-519-88783621 88721665
Fax
+86-519-88495082
Email
john.chiang@xialichem.com
Country
China
ProdList
168
Advantage
70
Aikon International Limited
Tel
025-58859352-
Fax
02557626880
Email
hywu@aikonchem.com
Country
China
ProdList
15645
Advantage
58
Wuhan yuqing jiaheng pharmaceutical co. LTD
Tel
027-83855381-
Fax
027-83855381
Email
xiaozhan0503@163.com
Country
China
ProdList
1084
Advantage
58
Shanghai Boer Chemical Reagent Co., LTD
Tel
Email
zhangmin@boerchina.net
Country
China
ProdList
7837
Advantage
58
Shandong Zhongqiang Chemical Technology Co., Ltd
Tel
Email
413235920@qq.com
Country
China
ProdList
25
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58
J & K SCIENTIFIC LTD.
Tel
010-82848833- ;010-82848833-
Fax
86-10-82849933
Email
jkinfo@jkchemical.com;market6@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
21-61259100-
Fax
86-21-61259102
Email
sh@meryer.com
Country
China
ProdList
40264
Advantage
62
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View Lastest Price from Isopropyl acetate manufacturers

Hebei Crovell Biotech Co Ltd
Product
Isopropyl acetate 108-21-4
Price
US $9.10/KG
Min. Order
1KG
Purity
99.5%
Supply Ability
10 ton
Release date
2021-07-26
Wuhan wingroup Pharmaceutical Co., Ltd
Product
Isopropyl acetate 108-21-4
Price
US $10.00/g
Min. Order
100g
Purity
99%
Supply Ability
1000ton/Month
Release date
2021-07-12
Hebei Guanlang Biotechnology Co., Ltd.
Product
Isopropyl acetate 108-21-4
Price
US $1.00/PCS
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2021-07-02

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