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537470

Sigma-Aldrich

Isobutyl acetate

99%

Synonyme(s) :

Acetic acid isobutyl ester

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About This Item

Formule linéaire :
CH3COOCH2CH(CH3)2
Numéro CAS:
110-19-0
Poids moléculaire :
116.16
Numéro Beilstein :
1741909
Numéro CE :
203-745-1
Numéro MDL:
MFCD00008932
Code UNSPSC :
12352108
ID de substance PubChem :
329757982
Nomenclature NACRES :
NA.21

Densité de vapeur

>4 (vs air)

Niveau de qualité

100

Pression de vapeur

15 mmHg ( 20 °C)

Pureté

99%

Forme

liquid

Température d'inflammation spontanée

793 °F

Limite d'explosivité

10.5 %

Impuretés

≤0.050% (water)

Indice de réfraction

n20/D 1.39 (lit.)

pH

6.7 (20 °C, 5 g/L)

Point d'ébullition

115-117 °C (lit.)

Pf

−99 °C (lit.)

Solubilité

water: soluble 5.6 g/L at 20 °C

Densité

0.867 g/mL at 25 °C (lit.)

Chaîne SMILES 

CC(C)COC(C)=O

InChI

1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

Clé InChI

GJRQTCIYDGXPES-UHFFFAOYSA-N

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Catégories apparentées

Description générale

Isobutyl acetate (IBA), one of the isomers of butyl acetate, is an odorant found in fruits. Vapor-liquid equilibria of its binary mixture with isobutyl alcohol at 20 and 101.3kPa have been evaluated. Its synthesis via lipase-catalyzed esterification reaction has been reported.

Application


  • Green Synthesis of the Flavor Esters with a Marine Candida parapsilosis Esterase Expressed in Saccharomyces cerevisiae.: This study demonstrates a green synthesis approach using a marine esterase for the production of flavor esters, including isobutyl acetate. The process employs Saccharomyces cerevisiae, showcasing the potential for sustainable production of flavoring agents in the food and beverage industry (Xue et al., 2020).

  • In-line reaction monitoring of entacapone synthesis by Raman spectroscopy and multivariate analysis.: This research employs Raman spectroscopy to monitor the synthesis of entacapone in real-time. Isobutyl acetate is utilized as a solvent in the reaction, highlighting its relevance in pharmaceutical synthesis and process monitoring (Novak et al., 2011).

  • Paint thinner exposure inhibits testosterone synthesis and secretion in a reversible manner in the rat.: This study investigates the effects of paint thinner exposure, which contains isobutyl acetate, on testosterone synthesis in rats. The findings provide insights into the potential endocrine-disrupting properties of isobutyl acetate in industrial applications (Yilmaz et al., 2006).

  • Preparation of spherically agglomerated crystals of aminophylline.: This research explores the preparation of aminophylline crystals using isobutyl acetate as a solvent. The study emphasizes the compound′s utility in pharmaceutical formulations to enhance drug solubility and bioavailability (Kawashima et al., 1984).

Pictogrammes

FlameExclamation mark
GHS02,GHS07

Mention d'avertissement

Danger

Mentions de danger

H225,H336

Classification des risques

Flam. Liq. 2 - STOT SE 3

Organes cibles

Central nervous system

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

71.6 °F - Pensky-Martens closed cup

Point d'éclair (°C)

22 °C - Pensky-Martens closed cup

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Consulter la Bibliothèque de documents

Rabia Alghazeer et al.
Food chemistry, 108(3), 801-810 (2008-06-01)
The effect of frozen storage on lipid peroxidation in Atlantic mackerel (Scomber scombrus) stored for up to 26 weeks at -10 or -80°C (control), with and without green tea antioxidants, was investigated. Hydroperoxides (PV) and aldehydes (TBARS) were measured by
Isobaric vapor-liquid equilibria for the binary systems isobutyl alcohol+ isobutyl acetate and tert-butyl alcohol+tert-butyl acetate at 20 and 101.3 kPa.
Monton JB, et al.
Fluid Phase Equilibria, 227(1), 19-25 (2005)
Determination of low phosphate concentrations in seawater by an isobutyl acetate extraction procedure.
Cescon BS and Scarazzato PG.
Limnology and Oceanography, 18(3), 499-500 (1973)
Günter E Jeromin et al.
Biotechnology letters, 30(5), 925-928 (2008-01-16)
A new irreversible esterification method for carboxylic acids catalyzed by a lipase from Candida antarctica (Novozyme 435) in organic solvents has been developed. The water produced during the process is chemically destroyed by a corresponding ester of acetoacetate, which acts
Y H Yoon et al.
American Industrial Hygiene Association journal, 51(6), 319-325 (1990-06-01)
A previously developed theoretical model was applied to investigate contaminant breakthrough on charcoal sampling tubes. Associated with the model are two important theoretical parameters. These parameters are k' (a rate constant) and tau (the time required for 50% contaminant breakthrough).
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