90871

Isopropyl acetate

analytical standard

• Synonym(s): Acetic acid isopropyl ester
• Linear Formula: CH₃COOCH(CH₃)₂
• CAS Number: 108-21-4
• Molecular Weight: 102.13
• Beilstein: 1740761
• EC Number: 203-561-1
• MDL number: MFCD00008877
• UNSPSC Code: 85151701
• PubChem Substance ID: 329769958
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 3.5 (vs air)
• vapor pressure: 47 mmHg ( 20 °C)
• Assay: ≥99.8% (GC)
• autoignition temp.: 894 °F
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 1.8 %, 37 °F; 8 %
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.377 (lit.); n20/D 1.377
• bp: 85-91 °C (lit.)
• mp: −73 °C (lit.)
• density: 0.872 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• 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.[1] 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.[2] It is a colorless[3], flammable liquid[4], having a pleasant fruity type of odor.[5]

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.[6] It may be used as extracting reagent for the N,N-dimethyl-2-[5-(cyanomethyl)-1H-indol-3-yl]ethylamine.[7]

Isopropyl acetate may be used as an analytical standard for the determination of the analyte in water samples[8] and organic solvent mixtures[9] by various gas chromatography (GC) techniques.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H319,H336
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Target Organs: Central nervous system
• Supplementary Hazards: EUH066
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 41.0 °F - closed cup
• Flash Point(C): 5 °C - closed cup