Isobutyl acetate

SIGALD/537470 - 99%

Synonym: Acetic acid isobutyl ester

CAS Number: 110-19-0
Empirical Formula (Hill Notation): C₆H₁₂O₂
Molecular Weight: 116.16
EC Number: 203-745-1
MDL Number: MFCD00008932
Linear Formula: CH₃COOCH₂CH(CH₃)₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-537470-25ML	25 mL	$0.00 1/EA CALL FOR PRICE	Add To Favorites
45-537470-1L	1 L	$0.00 1/EA CALL FOR PRICE	Add To Favorites
45-537470-3L	3 L	$0.00 1/EA CALL FOR PRICE	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	99%
autoignition temp.	793 °F
bp	115-117 °C (lit.)
density	0.867 g/mL at 25 °C (lit.)
expl. lim.	10.5 %
form	liquid
impurities	≤0.050% (water)
InChI	1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI key	GJRQTCIYDGXPES-UHFFFAOYSA-N
mp	−99 °C (lit.)
pH	6.7 (20 °C, 5 g/L)
Quality Level	100
refractive index	n20/D 1.39 (lit.)
SMILES string	CC(C)COC(C)=O
solubility	water: soluble 5.6 g/L at 20 °C
vapor density	>4 (vs air)
vapor pressure	15 mmHg ( 20 °C)

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 ).
General description:	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.
Packaging:	1, 3 L in glass bottle
Packaging:	25 mL in glass bottle

Symbol	GHS02,GHS07
Signal word	Danger
Hazard statements	H225 - H336
Precautionary statements	P210
Hazard Codes	F
Risk Statements	11-66-67
Safety Statements	16-23-25-29-33
RIDADR	UN1213 - class 3 - PG 2 - Isobutyl acetate
WGK Germany	WGK 1
Flash Point(F)	71.6 °F - Pensky-Martens cl
Flash Point(C)	22 °C - Pensky-Martens clos
Supplemental Hazard Statements	EUH066

Purity	99%
bp	115-117 °C (lit.)
mp	−99 °C (lit.)
Density	0.867 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.39 (lit.)
UNSPSC	12352108

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