Description References
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Ethyl Hexanoate

Description References
Product Name
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
Formula Weight
144.21
MOL File
123-66-0.mol
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Ethyl Hexanoate Property

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℃
refractive index 
n20/D 1.407
FEMA 
2439 | ETHYL HEXANOATE
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℃
CAS DataBase Reference
123-66-0(CAS DataBase Reference)
NIST Chemistry Reference
Hexanoic acid, ethyl ester(123-66-0)
EPA Substance Registry System
Ethyl hexanoate (123-66-0)
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Safety

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).
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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.

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

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
W243914
Product name
Ethyl Hexanoate
Purity
natural, ≥98%, FCC, FG
Packaging
1kg
Price
$123
Updated
2024/03/01
Sigma-Aldrich
Product number
W243914
Product name
Ethyl Hexanoate
Purity
natural, ≥98%, FCC, FG
Packaging
4kg
Price
$355
Updated
2024/03/01
Sigma-Aldrich
Product number
W243914
Product name
Ethyl Hexanoate
Purity
natural, ≥98%, FCC, FG
Packaging
9kg
Price
$507
Updated
2024/03/01
Sigma-Aldrich
Product number
W243906
Product name
Ethyl Hexanoate
Purity
≥98%, FCC, FG
Packaging
1kg
Price
$73.2
Updated
2024/03/01
Sigma-Aldrich
Product number
W243906
Product name
Ethyl Hexanoate
Purity
≥98%, FCC, FG
Packaging
4kg
Price
$170
Updated
2024/03/01
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Ethyl Hexanoate Chemical Properties,Usage,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 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.

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

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.

Preparation

By esterification of caproic acid with ethyl alcohol in the presence of concentrated H2SO4 or HCl

Definition

ChEBI: A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.

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).

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View Lastest Price from Ethyl Hexanoate manufacturers

Hebei Duling International Trade Co. LTD
Product
Ethyl Hexanoate 123-66-0
Price
US $20.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
5000 Ton
Release date
2023-02-17
Hebei Yibangte Import and Export Co. , Ltd.
Product
Ethyl Hexanoate 123-66-0
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
500000
Release date
2023-12-25
Hebei Guanlang Biotechnology Co., Ltd.
Product
Ethyl Hexanoate 123-66-0
Price
US $0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2023-01-05

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