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Merck
CN

259942

Methyl hexanoate

99%

Synonym(s):

Caproic acid methyl ester, Methyl caproate

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About This Item

Linear Formula:
CH3(CH2)4COOCH3
CAS Number:
Molecular Weight:
130.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-425-1
Beilstein/REAXYS Number:
1744683
MDL number:
Assay:
99%
Form:
liquid
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assay

99%

form

liquid

refractive index

n20/D 1.405 (lit.)

bp

151 °C (lit.)

mp

−71 °C (lit.)

solubility

chloroform: soluble 100 mg/mL, clear

density

0.885 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

CCCCCC(=O)OC

InChI

1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

InChI key

NUKZAGXMHTUAFE-UHFFFAOYSA-N

General description

Hydrodeoxygenation of methyl hexanoate on commercial NiMo/γ-Al2O3 and CoMo/γ-Al2O3 hydro treatment catalysts in either oxide or sulphided form has been investigated. The oxidation of methyl hexanoate in a jet-stirred reactor has been studied.

Application

  • Effect of fat nature and aroma compound hydrophobicity on flavor release from complex food emulsions.: This study examines how the type of fat and the hydrophobic nature of aroma compounds, including methyl hexanoate, affect flavor release in food emulsions. The findings highlight the importance of molecular interactions in designing food products with optimized flavor profiles. (Relkin et al., 2004).


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pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

99.5 °F - closed cup

flash_point_c

37.5 °C - closed cup

ppe

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

Regulatory Information

危险化学品

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Rebecca M Turner et al.
The Journal of biological chemistry, 289(46), 31837-31845 (2014-10-02)
Insect odorant receptors are heteromeric odorant-gated cation channels comprising a conventional odorant-sensitive tuning receptor (ORx) and a highly conserved co-receptor known as Orco. Orco is found only in insects, and very little is known about its structure and the mechanism
Experimental and kinetic modeling study of the oxidation of methyl hexanoate.
Dayma G al.
Energy and Fuels, 22(3), 1469-1479 (2008)
Hydrodeoxygenation of methyl esters on sulphided NiMo/?-Al2O3 and CoMo/?-Al2O3 catalysts.
Senol OI, et al.
Catalysis Today, 100(3), 331-335 (2005)



Global Trade Item Number

SKUGTIN
259942-500ML04061826075838
259942-100ML04061826075807