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112992

Sigma-Aldrich

Isopropyl acetate

greener alternative

98%

Synonyme(s) :

Acetic acid isopropyl ester

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About This Item

Formule linéaire :
CH3COOCH(CH3)2
Numéro CAS:
108-21-4
Poids moléculaire :
102.13
Numéro Beilstein :
1740761
Numéro CE :
203-561-1
Numéro MDL:
MFCD00008877
Code UNSPSC :
12352108
ID de substance PubChem :
329749351
Nomenclature NACRES :
NA.21

Densité de vapeur

3.5 (vs air)

Pression de vapeur

47 mmHg ( 20 °C)

Pureté

98%

Forme

liquid

Température d'inflammation spontanée

894 °F

Limite d'explosivité

1.8 %, 37 °F
8 %

Caractéristiques du produit alternatif plus écologique

Safer Solvents and Auxiliaries
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Indice de réfraction

n20/D 1.377 (lit.)

Point d'ébullition

85-91 °C (lit.)

Pf

−73 °C (lit.)

Densité

0.872 g/mL at 25 °C (lit.)

Autre catégorie plus écologique

, Aligned

Chaîne SMILES 

CC(C)OC(C)=O

InChI

1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

Clé InChI

JMMWKPVZQRWMSS-UHFFFAOYSA-N

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Catégories apparentées

Description générale

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 La0.8Sr0.2MnO3+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.

Pictogrammes

FlameExclamation mark
GHS02,GHS07

Mention d'avertissement

Danger

Mentions de danger

H225,H319,H336

Classification des risques

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Organes cibles

Central nervous system

Risques supp

EUH066

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

41.0 °F - closed cup

Point d'éclair (°C)

5 °C - closed cup

Certificats d'analyse (COA)

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Christoph Wiedmer et al.
Analytical and bioanalytical chemistry, 409(16), 3905-3916 (2017-04-13)
Based on the observation of intense and offensive smells in the product group of aquatic toys, four representative products were exemplarily chosen and sensorially characterized by an expert panel. Panellists reported mostly almond- and rubber-like notes for three of the
Improved Fischer indole reaction for the preparation of N,N-dimethyltryptamines: Synthesis of L-695,894, a potent 5-HT1D receptor agonist.
Chen CY, et al.
The Journal of Organic Chemistry, 59(13), 3738-3741 (1994)
Vapor-liquid equilibria of carbon dioxide with isopropyl acetate, diethyl carbonate and ethyl butyrate at elevated pressures.
Cheng CH and Chen YP.
Fluid Phase Equilibria, 234(1), 77-83 (2005)
General study of catalytic oxidation of various VOCs over La0.8Sr0.2MnO3+x perovskite catalyst-influence of mixture.
Blasin-Aube V, et al.
Applied Catalysis. B, Environmental, 43(2), 175-186 (2003)
A novel route to produce thymol by vapor phase reaction of m-cresol with isopropyl acetate over Al-MCM-41 molecular sieves.
Shanmugapriya K, et al.
J. Catal., 224(2), 347-357 (2004)
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