112992

Isopropyl acetate

98%

• Synonym(s): Acetic acid isopropyl ester
• Linear Formula: CH₃COOCH(CH₃)₂
• CAS Number: 108-21-4
• Molecular Weight: 102.13
• Beilstein/REAXYS Number: 1740761
• EC Number: 203-561-1
• MDL number: MFCD00008877
• UNSPSC Code: 12352108
• PubChem Substance ID: 329749351
• NACRES: NA.21

Properties

• vapor density: 3.5 (vs air)
• Quality Level: 100
• vapor pressure: 47 mmHg ( 20 °C)
• assay: 98%
• form: liquid
• autoignition temp.: 894 °F
• expl. lim.: 1.8 %, 37 °F; 8 %
• greener alternative product characteristics: Safer Solvents and Auxiliaries; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• refractive index: n20/D 1.377 (lit.)
• bp: 85-91 °C (lit.)
• mp: −73 °C (lit.)
• density: 0.872 g/mL at 25 °C (lit.)
• greener alternative category: , Aligned
• SMILES string: CC(C)OC(C)=O
• InChI: 1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
• InChI key: JMMWKPVZQRWMSS-UHFFFAOYSA-N

Description

General description

Isopropyl acetate is an isopropyl ester of acetic acid. It participates in the mesoporous Al-MCM-41 (Si/Al = 55 and 104) and Al, Zn-MCM-41 (Si/(Al+Zn) = 52) molecular sieves catalyzed alkylation of m-cresol. It is widely used for the incorporation of aroma to various cosmetics and food products. Vapor-liquid equilibria for its binary mixture with CO₂ at higher pressures has been evaluated.

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Application

Isopropyl acetate may be employed as model oxygenate compound to evaluate the catalytic efficiency of La_0.8Sr_0.2MnO_3+x perovskite catalyst for the oxidation of various oxy-derivative compounds. It may be used as extracting reagent for the N,N-dimethyl-2-[5-(cyanomethyl)-1H-indol-3-yl]ethylamine.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319,H336
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 41.0 °F - closed cup
• flash_point_c: 5 °C - closed cup