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;METHYLCAPRONAT;methylhexylate;Methyl hexylate
- CBNumber:
- CB6755858
- Molecular Formula:
- C7H14O2
- Molecular Weight:
- 130.18
- MDL Number:
- MFCD00009510
- MOL File:
- 106-70-7.mol
- MSDS File:
- SDS
| 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 |
n |
| 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) |
| Substances Added to Food (formerly EAFUS) | METHYL HEXANOATE |
| FDA 21 CFR | 172.515 |
| EWG's Food Scores | 2 |
| FDA UNII | 246364VPJS |
| NIST Chemistry Reference | Hexanoic acid, methyl ester(106-70-7) |
| EPA Substance Registry System | Methyl hexanoate (106-70-7) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS02 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226 | |||||||||
| Precautionary statements | P210 | |||||||||
| 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 | |||||||||
| NFPA 704 |
|
Methyl hexanoate price More Price(27)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | W270814 | Methyl hexanoate natural, ≥99%, FG | 106-70-7 | 100g | $115 | 2024-03-01 | Buy |
| Sigma-Aldrich | W270814 | Methyl hexanoate natural, ≥99%, FG | 106-70-7 | 1kg | $675 | 2024-03-01 | Buy |
| Sigma-Aldrich | W270814 | Methyl hexanoate natural, ≥99%, FG | 106-70-7 | 4kg | $1670 | 2024-03-01 | Buy |
| Sigma-Aldrich | PHR3533 | Methyl Hexanoate pharmaceutical secondary standard, certified reference material | 106-70-7 | 1G | $259 | 2024-03-01 | Buy |
| Sigma-Aldrich | 8.20638 | Methyl hexanoate for synthesis | 106-70-7 | 5ml | $24.6 | 2024-03-01 | Buy |
Methyl hexanoate Chemical Properties,Uses,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
colourless liquid
Chemical Properties
Methyl hexanoate has an ether-like odor reminiscent of pineapple
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.
Definition
ChEBI: A fatty acid methyl ester derived from hexanoic (caproic acid).
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
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
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Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418679 +8618949832763 | info@tnjchem.com | China | 2986 | 55 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | sales@coreychem.com | China | 29882 | 58 |
| SHANDONG ZHI SHANG CHEMICAL CO.LTD | +86 18953170293 | sales@sdzschem.com | China | 2930 | 58 |
| Hubei Jusheng Technology Co.,Ltd. | 18871490254 | linda@hubeijusheng.com | CHINA | 28172 | 58 |
| Xiamen AmoyChem Co., Ltd | +86-86-5926051114 +8618959220845 | sales@amoychem.com | China | 6383 | 58 |
| Hubei xin bonus chemical co. LTD | 86-13657291602 | linda@hubeijusheng.com | CHINA | 22963 | 58 |
| Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 | sales@chemdad.com | China | 39894 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49374 | 58 |
| SIMAGCHEM CORP | +86-13806087780 | sale@simagchem.com | China | 17365 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | sales@tnjchem.com | China | 34553 | 58 |
View Lastest Price from Methyl hexanoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-11-22 | Methyl hexanoate
106-70-7
|
US $0.00 / KG | 1KG | 98%min | 30tons/month | WUHAN FORTUNA CHEMICAL CO., LTD | |
 |
2023-07-27 | Methyl hexanoate
106-70-7
|
US $1.50 / g | 1g | 99.0% Min | 100 Tons | Shaanxi Didu New Materials Co. Ltd | |
 |
2019-07-06 | Methyl hexanoate
106-70-7
|
US $80.00 / KG | 1KG | 1 | 1000KG | Career Henan Chemical Co |
-
- Methyl hexanoate
106-70-7
- US $0.00 / KG
- 98%min
- WUHAN FORTUNA CHEMICAL CO., LTD
-
- Methyl hexanoate
106-70-7
- US $1.50 / g
- 99.0% Min
- Shaanxi Didu New Materials Co. Ltd
-
- Methyl hexanoate
106-70-7
- US $80.00 / KG
- 1
- Career Henan Chemical Co
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