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Merck

246093

Methyl butyrate

99%

Synonym(s):

3-Methylpropanoic acid methyl ester, Methyl butanoate, Methyl n-butyrate

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About This Item

Linear Formula:
CH3CH2CH2COOCH3
CAS Number:
623-42-7
Molecular Weight:
102.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854779
EC Number:
210-792-1
Beilstein/REAXYS Number:
1740743
MDL number:
MFCD00009391
Assay:
99%
Form:
liquid

Key Documents

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InChI key

UUIQMZJEGPQKFD-UHFFFAOYSA-N

InChI

1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3

SMILES string

CCCC(=O)OC

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 30 °C)

assay

99%

form

liquid

expl. lim.

3.5 %

refractive index

n20/D 1.385 (lit.)

bp

102-103 °C (lit.)

solubility

water: soluble 60 part, alcohol: miscible, diethyl ether: soluble

density

0.898 g/mL at 25 °C (lit.)

functional group

ester

Quality Level

100

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Related Categories

General description

Methyl butyrate, one of the odorous compound present in different types of adhesive (hotmelt, vinyl acetate ethylene, starch, polyvinyl acetate and acrylic) used in food packaging, was identified by GC-O-MS (gas chromatography–mass spectrometry–olfactometry).

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

53.0 °F

flash_point_c

11.67 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP2297
SHBP1871
SHBP1740
SHBP1144
SHBN9420

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Kaixin Li et al.
Physical chemistry chemical physics : PCCP, 18(48), 32723-32734 (2016-11-24)
Brønsted acidic ionic liquids (BAILs) can play a dual role, as a solvent and as a catalyst, in many reactions. However, molecular details of the catalytic mechanism are poorly understood. We present here a density functional theory (DFT) study for
Michael J Twiner et al.
Genomics, 91(3), 289-300 (2008-01-15)
Azaspiracid-1 (AZA-1) is a marine biotoxin reported to accumulate in shellfish from several countries, including eastern Canada, Morocco, and much of western Europe, and is frequently associated with severe gastrointestinal human intoxication. As the mechanism of action of AZA-1 is
Sang-Ryong Lee et al.
The Science of the total environment, 610-611, 992-996 (2017-08-26)
This report proposes a new approach to evaluate the odour nuisance of cattle manure samples from three different cattle breeds (i.e., native cattle, beef cattle, and milk cow) by means of quantification and speciation of volatile fatty acids (VFAs). To
A Nakagawa et al.
Journal of biochemistry, 96(3), 815-820 (1984-09-01)
Purified Pseudomonas fluorescens lipase [EC 3.1.1.3] exhibited slight activity on water-soluble esters such as methyl butyrate, and this activity was increased on addition of Brij 58 (20 oxyethylene hexadecyl ether) to the solution. This stimulating effect of Brij 58 on
T Tsujita et al.
Journal of biochemistry, 103(2), 327-331 (1988-02-01)
Carboxylesterase was purified from rat kidney in an electrophoretically homogeneous form by acetone precipitation, followed by successive chromatographies on DEAE-cellulose and hydroxyapatite and then isoelectric focusing. The purified enzyme catalyzed the hydrolyses of monoacylglycerols and short-chain triacylglycerols, such as tributyrin
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