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Merck

537454

Butyl acetate

ReagentPlus®, 99.5%

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About This Item

Linear Formula:
CH3COO(CH2)3CH3
CAS Number:
123-86-4
Molecular Weight:
116.16
UNSPSC Code:
12352108
NACRES:
NA.21
PubChem Substance ID:
329757980
EC Number:
204-658-1
Beilstein/REAXYS Number:
1741921
MDL number:
MFCD00009445
Assay:
99.5%
Bp:
124-126 °C (lit.)
Vapor pressure:
15 mmHg ( 25 °C), 8 mmHg ( 20 °C)

Key Documents

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InChI key

DKPFZGUDAPQIHT-UHFFFAOYSA-N

InChI

1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

SMILES string

CCCCOC(C)=O

vapor density

4 (vs air)

vapor pressure

15 mmHg ( 25 °C), 8 mmHg ( 20 °C)

product line

ReagentPlus®

assay

99.5%

Quality Level

100

autoignition temp.

790 °F

expl. lim.

7.6 %

dilution

(for general lab use)

impurities

≤0.05% (water)

refractive index

n20/D 1.394 (lit.)

pH

6.2 (20 °C, 5.3 g/L)

bp

124-126 °C (lit.)

mp

−78 °C (lit.)

density

0.88 g/mL at 25 °C (lit.)

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General description

Butyl acetate (BA, n-butyl acetate) is an ester commonly used as an organic solvent in cosmetic and pharmaceutical industries and as a flavoring agent in food industry. One of the methods reported for its synthesis is the esterification reaction between acetic acid and butanol catalyzed by expandable graphite (EG). The decomposition of BA by photocatalysis in the gas phase has been studied using WO3/TiO2 (tungsten oxide/titanium dioxide), Pt/TiO2 and TiO2 catalysts. BA is a probable biofuel additive.

Application

Meets urethane grade requirements (H2O ≤ 0.05%)

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H336

Hazard Classifications

Flam. Liq. 3 - STOT SE 3

target_organs

Central nervous system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT4673
SHBS6789
SHBR1654
SHBN4563
SHBM6639

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Determination of trace gold in ores by butyl acetate extraction and flame atomic absorption spectrometry.
Shan XG and Lin YF.
Metallurgical Analysis, 3, 016-016 (2011)
Catalytic Behaviors of Expansible Graphite in the Synthesis of Butyl Acetate.
Pang XY.
Journal of Chemistry, 9(4), 1816-1822 (2012)
Liquid-liquid equilibria for ternary systems acetic acid+ n-butyl acetate+ hydrocarbons at 293.15K.
Romain R, et al.
Fluid Phase Equilibria, 356, 264-270 (2013)
Photocatalytic oxidation of butyl acetate in vapor phase on TiO2, Pt/TiO2 and WO3/TiO2 catalysts.
Keller V, et al.
J. Catal., 215(1), 129-138 (2003)
The spectrophotometric and fluorometric determination of aluminum with 8-hydroxyquinoline and butyl acetate extraction.
Bloom PR, et al.
Soil Science Society of America Journal. Soil Science Society of America, 42(5), 713-716 (1978)
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