537470

Isobutyl acetate

99%

• Synonyme(s) : Acetic acid isobutyl ester
• 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

Propriétés

• 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

Description

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).

Informations sur la sécurité

• Pictogrammes: GHS02,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H225,H336
• Conseils de prudence: P210 - P233 - P240 - P241 - P242 - P243
• 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