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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
SHBS4946
SHBR7985
SHBR9225
SHBR4817
SHBQ4215

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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
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
S H Sterri et al.
Biochemical pharmacology, 34(15), 2779-2785 (1985-08-01)
A radiochemical assay for carboxylesterase based on the substrate methyl[1-14C]butyrate is described. The blank value corresponds to 1.04 micrograms (liver)-1.44 mg (plasma) of tissues with the highest and lowest activity respectively, which constitute the sensitivity of the method. The hydrolysis
Zheng Wu et al.
Neuron, 106(2), 316-328 (2020-02-28)
Cognitive capacities afford contingent associations between sensory information and behavioral responses. We studied this problem using an olfactory delayed match to sample task whereby a sample odor specifies the association between a subsequent test odor and rewarding action. Multi-neuron recordings
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
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