Ethyl Hexanoate
- CAS No.
- 123-66-0
- Chemical Name:
- Ethyl Hexanoate
- Synonyms
- ETHYL CAPROATE;HEXANOIC ACID ETHYL ESTER;2-ETHYLHEXANOATE;Ethyl butyl acetate;Ethyl hexyl;ETHYL N-CAPROATE;ETHYL N-HEXANOATE;FEMA 2439;ETHYL HEXOATE;ETHYLCAPRONAT
- CBNumber:
- CB5350375
- Molecular Formula:
- C8H16O2
- Molecular Weight:
- 144.21
- MDL Number:
- MFCD00009511
- MOL File:
- 123-66-0.mol
- MSDS File:
- SDS
| Melting point | -67°C |
|---|---|
| Boiling point | 168 °C (lit.) |
| Density | 0.869 g/mL at 25 °C (lit.) |
| vapor density | 5 (vs air) |
| vapor pressure | 4hPa at 25℃ |
| FEMA | 2439 | ETHYL HEXANOATE |
| refractive index |
n |
| Flash point | 121 °F |
| storage temp. | Flammables area |
| solubility | 0.63g/l |
| form | Liquid |
| color | Clear colorless |
| Odor | at 1.00 % in dipropylene glycol. sweet fruity pineapple waxy green banana |
| Odor Type | fruity |
| explosive limit | 0.9%(V) |
| Water Solubility | INSOLUBLE |
| Merck | 14,3777 |
| JECFA Number | 31 |
| BRN | 1701293 |
| Dielectric constant | 4.5700000000000003 |
| InChIKey | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| LogP | 2.96 at 22.4℃ |
| Substances Added to Food (formerly EAFUS) | ETHYL HEXANOATE |
| FDA 21 CFR | 172.515 |
| CAS DataBase Reference | 123-66-0(CAS DataBase Reference) |
| FDA UNII | FLO6YR1SHT |
| NIST Chemistry Reference | Hexanoic acid, ethyl ester(123-66-0) |
| EPA Substance Registry System | Ethyl hexanoate (123-66-0) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS02 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226 | |||||||||
| Precautionary statements | P210-P370+P378 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 10-36/37/38-R36/37/38-R10 | |||||||||
| Safety Statements | 16-26-36-S36-S26-S16 | |||||||||
| RIDADR | UN 3272 3/PG 3 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | MO7735000 | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29159000 | |||||||||
| Toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975). | |||||||||
| NFPA 704 |
|
Ethyl Hexanoate price More Price(26)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | W243914 | Ethyl Hexanoate natural, ≥98%, FCC, FG | 123-66-0 | 1kg | $123 | 2024-03-01 | Buy |
| Sigma-Aldrich | W243914 | Ethyl Hexanoate natural, ≥98%, FCC, FG | 123-66-0 | 4kg | $355 | 2024-03-01 | Buy |
| Sigma-Aldrich | W243914 | Ethyl Hexanoate natural, ≥98%, FCC, FG | 123-66-0 | 9kg | $507 | 2024-03-01 | Buy |
| Sigma-Aldrich | W243906 | Ethyl Hexanoate ≥98%, FCC, FG | 123-66-0 | 1kg | $73.2 | 2024-03-01 | Buy |
| Sigma-Aldrich | W243906 | Ethyl Hexanoate ≥98%, FCC, FG | 123-66-0 | 4kg | $170 | 2024-03-01 | Buy |
Ethyl Hexanoate Chemical Properties,Uses,Production
Description
Ethyl caproate (also ethyl hexanoate) is naturally found in the fruits of Ananas sativus. It can be synthesized by the direct esterification of caproic acid with ethyl alcohol. It has strong, sweet-ethereal like pineapple odor, with nuances of banana and strawberry.
Ethyl caproate is approved by the FDA for food use (as a flavoring agent in desserts and beverages) without hazard to public health. Ethyl Caproate is used to synthesize novel EP2/EP4 dual agonist of γ-lactam prostaglandin E1 analogs. It is also used as a chemical reagent in the synthesis of PPARα antagonists in the treatment of metabolic diseases.
References
[1] D. L. J. Opdyke (1974) Monographs on Fragrance Raw Materials
[2] https://www.trc-canada.com
Chemical Properties
Ethyl hexanoate has a powerful, fruity odor with a pineapple–banana note. It has been also reported to have a winy odor.
Chemical Properties
CLEAR COLOURLESS LIQUID
Chemical Properties
Ethyl Hexanoate is a colorless liquid with a strong fruity odor, reminiscent of pineapples. It occurs in many fruits and is used in small amounts for floral, fruity notes in perfume compositions and in larger quantities in fruit flavors.
Occurrence
Reported found in strawberry, rum, bourbon, cocoa, kiwi fruit, black currant, apple, orange and grapefruit juice, guava, Vitis vinifera, pineapple, strawberry jam, clove bud, cheeses, cognac, whiskies, grape wines, passion fruit juice, mango, fruit brandies, figs, corn oil, mountain papaya, pawpaw and mastic gum leaf oil.
Uses
Ethyl Caproate is used in the synthesis of novel EP2/EP4 dual agonist of γ-lactam prostaglandin E1 analogs. Also used as a chemical reagent in the synthesis of PPARα antagonists in the treatment of metabolic diseases.
Uses
Ethyl hexanoate may be used as an analytical reference standard for the determination of the analyte in wine and beer samples by chromatography based techniques.
Uses
manufacture of artificial fruit flavors.
Definition
ChEBI: A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.
Preparation
By esterification of caproic acid with ethyl alcohol in the presence of concentrated H2SO4 or HCl
Aroma threshold values
Detection: 0.3 to 5 ppb
Taste threshold values
Taste characteristics at 10 ppm: fruity and waxy with a tropical nuance.
Synthesis Reference(s)
Journal of the American Chemical Society, 90, p. 818, 1968 DOI: 10.1021/ja01005a064
Synthetic Communications, 14, p. 77, 1984 DOI: 10.1080/00397918408060867
Synthesis, p. 929, 1978 DOI: 10.1055/s-1978-24945
General Description
Ethyl hexanoate is one of the odorants contributing to the typical guava aroma. It also contributes to the fresh strawberry aroma.
Safety Profile
A skin irritant. Flammable liquid when exposed to heat or flame; can react with oxidzing materials. When heated to decomposition it emits acrid smoke and irritating fumes. To fight fire, use CO2, foam, dry chemical. See also ESTERS.
Carcinogenicity
Not listed by ACGIH, California Proposition 65, IARC, NTP, or OSHA.
Metabolism
Aliphatic esters, including ethyl caproate, are thought to be readily hydrolysed to the corresponding alcohol and acid, which are then further metabolized (Fassett, 1963). Ethyl caproate administered orally to rats produced a uniform ketonuria and it was considered probable that caproic acid was broken down chiefly by ?-oxidation (Deuel, Hallman, Butts & Murray, 1936). When 2 g ethyl caproate dissolved in aqueous ethanol was fed directly into the rumen of a cow, 0.003°/ was transferred to the milk, reaching a maximum level of 60 /fg/litre after 2-4 hr (Honkanen, Karvonen & Virtanen, 1964). The energy from ethyl caproate was 52% available when the ester was fed to four chicks at a level of 5% in the diet (Yoshida et al. 1970).
Solubility in organics
Soluble in oils and alcohol. Poorly soluble in Ropylene glycol, insoluble in Glycerin.
Ethyl Hexanoate Preparation Products And Raw materials
Raw materials
1of3
Preparation Products
1of2
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Henan Xiangduo Industry Co., Ltd. | +86-15981848961 +86-15981848961 | sales@xiangduochem.com | China | 497 | 58 |
| Hebei Mojin Biotechnology Co., Ltd | +86 13288715578 +8613288715578 | sales@hbmojin.com | China | 12840 | 58 |
| Hebei Chuanghai Biotechnology Co,.LTD | +86-13131129325 | sales1@chuanghaibio.com | China | 5893 | 58 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29791 | 60 |
| Shanghai Bojing Chemical Co.,Ltd. | +86-86-02137122233 +8613795318958 | bj1@bj-chem.com | China | 299 | 55 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21634 | 55 |
| 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 | 29884 | 58 |
| Jinan Finer Chemical Co., Ltd | +86-531-88989536 +86-15508631887 | sales@finerchem.com | China | 2964 | 58 |
| Hebei Weibang Biotechnology Co., Ltd | +8615531157085 | abby@weibangbio.com | China | 8812 | 58 |
View Lastest Price from Ethyl Hexanoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2024-11-21 | Ethyl caproate
123-66-0
|
US $5.00 / kg | 1kg | ≥98% | Colorless to light yellow liquid | Jinan Finer Chemical Co., Ltd | |
 |
2024-10-11 | Ethyl Hexanoate
123-66-0
|
US $5.00-2.00 / KG | 1KG | 99% | 10000kg | Hebei Chuanghai Biotechnology Co,.LTD | |
 |
2023-12-26 | Ethyl Hexanoate
123-66-0
|
US $0.00-0.00 / kg | 1kg | 99% | 500000 | Hebei Kingfiner Technology Development Co.Ltd |
-
- Ethyl caproate
123-66-0
- US $5.00 / kg
- ≥98%
- Jinan Finer Chemical Co., Ltd
-
- Ethyl Hexanoate
123-66-0
- US $5.00-2.00 / KG
- 99%
- Hebei Chuanghai Biotechnology Co,.LTD
-
- Ethyl Hexanoate
123-66-0
- US $0.00-0.00 / kg
- 99%
- Hebei Kingfiner Technology Development Co.Ltd