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Methyl hexanoate

Description References
Product Name
Methyl hexanoate
CAS No.
106-70-7
Chemical Name
Methyl hexanoate
Synonyms
FEMA 2708;METHYL HEXOATE;methylhexylate;METHYLCAPRONAT;Methyl hexylate;METHYL CAPROATE;HEXANOIC METHYL;METHYL CAPRONATE;METHYL HEXANOATE;Methyl n-hexoate
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)
refractive index 
n20/D 1.405
FEMA 
2708 | METHYL HEXANOATE
Flash point:
113 °F
storage temp. 
Store below +30°C.
solubility 
chloroform: soluble100mg/mL, clear
form 
Liquid
Water Solubility 
1.325g/L(20 ºC)
JECFA Number
1871
BRN 
1744683
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
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.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P370+P378In case of fire: Use … for extinction.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W270814
Product name
Methylhexanoate
Purity
natural,≥99%,FG
Packaging
1 SAMPLE-K
Price
$50
Updated
2021/12/16
Sigma-Aldrich
Product number
W270806
Product name
Methylhexanoate
Purity
≥99%,FG
Packaging
1 SAMPLE
Price
$50
Updated
2021/12/16
Sigma-Aldrich
Product number
8.20638
Product name
Methyl hexanoate
Purity
for synthesis
Packaging
250 mL
Price
$75.48
Updated
2021/12/16
Sigma-Aldrich
Product number
W270814
Product name
Methyl hexanoate
Purity
natural, ≥99%, FG
Packaging
100 g
Price
$98
Updated
2021/12/16
Sigma-Aldrich
Product number
8.20638
Product name
Methyl hexanoate
Purity
for synthesis
Packaging
5 mL
Price
$18.13
Updated
2021/12/16
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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.

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

J & K SCIENTIFIC LTD.
Tel
010-82848833- ;010-82848833
Fax
86-10-82849933
Email
jkinfo@jkchemical.com;market6@jkchemical.com
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China
ProdList
96815
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76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
+86-021-61259100
Fax
86-21-61259102
Email
int02@meryer.com
Country
China
ProdList
40264
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Alfa Aesar
Tel
400-610-6006; 021-67582000
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30159
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TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386 / 800-988-0390
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24555
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Energy Chemical
Tel
021-58432009
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
43432
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Adamas Reagent, Ltd.
Tel
400-600-9262
Email
bxy@titansci.com
Country
China
ProdList
13915
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59
Shanghai Hanhong Scientific Co.,Ltd.
Tel
;021-54306202- ;
Fax
13764082696
Email
jerry.ma@hanhonggroup.com;jerry.ma@hanhonggroup.com;jerry.ma@hanhonggroup.com
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China
ProdList
43059
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Chemsky(shanghai)International Co.,Ltd.
Tel
021-50135380
Email
shchemsky@sina.com
Country
China
ProdList
32358
Advantage
50
Chengdu XiYa Chemical Technology Co., Ltd.
Tel
;
Fax
0539-6365991
Email
sale@xiyashiji.com;3007716753@qq.com
Country
China
ProdList
10078
Advantage
57
Syntechem Co.,Ltd
Tel
Please Email
Fax
E-Mail Inquiry
Email
info@syntechem.com
Country
China
ProdList
13009
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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