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Methyl hexanoate

Description References
Product Name
Methyl hexanoate
CAS No.
106-70-7
Chemical Name
Methyl hexanoate
Synonyms
METHYL CAPROATE;HEXANOIC ACID METHYL ESTER;METHYL HEXOATE;METHYL AMYL ACETATE;HEXANOIC METHYL;CAPROIC ACID METHYL ESTER;FEMA 2708;methylhexylate;METHYLCAPRONAT;Methyl hexylate
CBNumber
CB6755858
Molecular Formula
C7H14O2
Formula Weight
130.18
MOL File
106-70-7.mol
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Methyl hexanoate Property

Melting point:
-71 °C (lit.)
Boiling point:
151 °C (lit.)
Density 
0.885 g/mL at 25 °C (lit.)
vapor pressure 
3.7 hPa (20 °C)
FEMA 
2708 | METHYL HEXANOATE
refractive index 
n20/D 1.405
Flash point:
113 °F
storage temp. 
Store below +30°C.
solubility 
chloroform: soluble100mg/mL, clear
form 
Liquid
color 
Colorless
Odor
at 100.00 %. ethereal fruity pineapple apricot strawberry tropical fruit banana bacon
Odor Type
fruity
Water Solubility 
1.325g/L(20 ºC)
JECFA Number
1871
BRN 
1744683
Dielectric constant
4.7000000000000002
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
LogP
2.34
CAS DataBase Reference
106-70-7(CAS DataBase Reference)
NIST Chemistry Reference
Hexanoic acid, methyl ester(106-70-7)
EPA Substance Registry System
Methyl hexanoate (106-70-7)
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Safety

Risk Statements 
10
Safety Statements 
43-16-36/37/39-7
RIDADR 
UN 3272 3/PG 3
WGK Germany 
1
RTECS 
MO8401400
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29159080
Toxicity
LD50 orally in Rabbit: > 5000 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W270814
Product name
Methyl hexanoate
Purity
natural, ≥99%, FG
Packaging
100g
Price
$115
Updated
2024/03/01
Sigma-Aldrich
Product number
W270814
Product name
Methyl hexanoate
Purity
natural, ≥99%, FG
Packaging
1kg
Price
$675
Updated
2024/03/01
Sigma-Aldrich
Product number
W270814
Product name
Methyl hexanoate
Purity
natural, ≥99%, FG
Packaging
4kg
Price
$1670
Updated
2024/03/01
Sigma-Aldrich
Product number
PHR3533
Product name
Methyl Hexanoate
Purity
pharmaceutical secondary standard, certified reference material
Packaging
1G
Price
$259
Updated
2024/03/01
Sigma-Aldrich
Product number
8.20638
Product name
Methyl hexanoate
Purity
for synthesis
Packaging
5ml
Price
$24.6
Updated
2024/03/01
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Methyl hexanoate Chemical Properties,Usage,Production

Description

Methyl hexanoate is the methyl ester form of hexanoate with fruity type odor and flavor. It is formed by the esterification between methanol and hexanoate. It can be found in many sources such as wine grapes, melon, raspberry, blackberry, plum, quince, apple brandy, wines, Bourbon vanilla, coffee, black tea, potato, tomato, cheeses, rye bread, meats and other foodstuffs. Its major application is used as cosmetic, flavor and fragrance agents.

References

Arora, D. K., A. P. Hansen, and M. S. Armagost. "Sorption of flavor compounds by low density polyethylene film." Journal of food science 56.5 (1991): 1421-1423.
Wohlfarth, Ch. "Refractive index of methyl hexanoate." Refractive Indices of Pure Liquids and Binary Liquid Mixtures (Supplement to III/38). Springer Berlin Heidelberg, 2008. 414-414.
Glaude, Pierre Alexandre, et al. "Modeling of the oxidation of methyl esters—Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor." Combustion and flame 157.11 (2010): 2035-2050.

Description

Methyl hexanoate has an ether-like odor reminiscent of pineapple. May be prepared by reacting methyl alcohol with hexanoic acid at 130 - 140°C in the presence of concentrated H2S04 and distilling the ester from the reaction mixture.

Chemical Properties

Methyl hexanoate has an ether-like odor reminiscent of pineapple

Chemical Properties

colourless liquid

Occurrence

Reported found in pineapple, apple, apricot, orange juice, black currants, guava, grapes, melon, papaya, pineapple, raspberry, blackberry, strawberry, potato, tomato, pepper, rye bread, cheeses, butter, milk, beef mutton, hop oil, beer, grape wine, cider, coffee, tea, honey, cloudberry, durian (Durio zibethinus), olive, passion fruit, plumcot, mushroom, starfruit, mango, wood apple, licorice, soursop, cashew apple, wort, cherimoya, kiwifruit, babaco fruit (Carica pentagona Heilborn), Bourbon vanilla, mountain papaya, oyster, custard apple, nectarine, naranjilla, lamb’s lettuce, loganberry, cape gooseberry, spineless monkey orange, Chinese quince and pawpaw.

Uses

Intermediate for caproic acid detergents, emulsifiers, wetting agents, stabilizers, resins, lubricants, plasticizers, flavoring.

Preparation

By reacting methyl alcohol with hexanoic acid at 130 to 140°C in the presence of concentrated H2SO4 and distilling the ester from the reaction mixture

Definition

ChEBI: A fatty acid methyl ester derived from hexanoic (caproic acid).

Aroma threshold values

Detection: 10 to 87 ppb

Synthesis Reference(s)

Tetrahedron, 35, p. 2169, 1979 DOI: 10.1016/0040-4020(79)87035-0
Tetrahedron Letters, 30, p. 2945, 1989 DOI: 10.1016/S0040-4039(00)99165-2

General Description

Clear colorless liquid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Methyl hexanoate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Methyl hexanoate reacts with strong oxidizing agents and strong bases.

Fire Hazard

Methyl hexanoate is combustible.

Flammability and Explosibility

Flammable

Synthesis

Methyl caproate is synthesized by direct esterification of n-Caproic (n-Hexanoic) acid with Methanol, preferably under azeotropic conditions.

Purification Methods

Pass it through alumina and distil it before use. [Beilstein 2 IV 921.]

Methyl hexanoate Preparation Products And Raw materials

Raw materials

Preparation Products

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Methyl hexanoate Suppliers

Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44689
Advantage
61
Shanghai Hanhong Scientific Co.,Ltd.
Tel
021-54306202 13764082696
Email
info@hanhongsci.com
Country
China
ProdList
42958
Advantage
64
Chemsky(shanghai)International Co.,Ltd.
Tel
021-50135380
Email
shchemsky@sina.com
Country
China
ProdList
32321
Advantage
50
jiliang chemicals
Tel
21-62165282 15801962796;
Fax
021 61153784
Email
bidingchem@163.com
Country
China
ProdList
1183
Advantage
60
Shandong Xiya Chemical Co., Ltd
Tel
4009903999 13355009207
Fax
0539-6365991
Email
3007715519@qq.com
Country
China
ProdList
18738
Advantage
57
Syntechem Co.,Ltd
Tel
Fax
E-Mail Inquiry
Email
info@syntechem.com
Country
China
ProdList
12984
Advantage
57
Sichuan Kulinan Technology Co., Ltd
Tel
400-1166-196 18981987031
Fax
028-84555506 800101999
Email
cdhxsj@163.com
Country
China
ProdList
11707
Advantage
57
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View Lastest Price from Methyl hexanoate manufacturers

Career Henan Chemical Co
Product
Methyl hexanoate 106-70-7
Price
US $80.00/KG
Min. Order
1KG
Purity
1
Supply Ability
1000KG
Release date
2018-08-04

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