Description References
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Ethyl Hexanoate

Description References
Product Name
Ethyl Hexanoate
CAS No.
123-66-0
Chemical Name
Ethyl Hexanoate
Synonyms
FEMA 2439;Ethyl hexyl;ETHYL HEXOATE;ETHYLCAPRONAT;Ethylhexanoat;Ehyl caproate;Ethylcapronate;CAPRONIC ETHER;ETHYL CAPROATE;ETHYL HEXANOATE
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)
FEMA 
2439 | ETHYL HEXANOATE
refractive index 
n20/D 1.407
Flash point:
121 °F
storage temp. 
Flammables area
solubility 
0.63g/l
form 
Liquid
color 
Clear colorless
explosive limit
0.9%(V)
Water Solubility 
INSOLUBLE
JECFA Number
31
Merck 
14,3777
BRN 
1701293
InChIKey
SHZIWNPUGXLXDT-UHFFFAOYSA-N
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

H315Causes skin irritation

H319Causes serious eye irritation

H320Causes eye irritation

H335May cause respiratory irritation

Precautionary statements

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

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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

P405Store locked up.

P403+P235Store in a well-ventilated place. Keep cool.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
148962
Product name
Ethyl hexanoate
Purity
≥99%
Packaging
5ml
Price
$23.1
Updated
2021/03/22
Sigma-Aldrich
Product number
W243906
Product name
Ethyl hexanoate
Purity
≥98%, FCC, FG
Packaging
1 kg
Price
$67
Updated
2021/03/22
Sigma-Aldrich
Product number
08375
Product name
Ethyl hexanoate
Purity
analytical standard
Packaging
1ml
Price
$69.7
Updated
2021/03/22
Sigma-Aldrich
Product number
W243914
Product name
Ethyl hexanoate
Purity
natural, ≥98%, FCC, FG
Packaging
1 kg
Price
$118
Updated
2021/03/22
Sigma-Aldrich
Product number
W243906
Product name
Ethyl hexanoate
Purity
≥98%, FCC, FG
Packaging
4 kg
Price
$156
Updated
2021/03/22
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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

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.

Chemical Properties

Ethyl hexanoate has a powerful, fruity odor with a pineapple–banana note. It has been also reported to have a winy odor.

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

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

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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Ethyl Hexanoate Suppliers

ShangHai Anpel Co, Ltd.
Tel
021-54890099
Email
shanpel@anpel.com.cn
Country
CHINA
ProdList
1584
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833- ;010-82848833-
Fax
86-10-82849933
Email
jkinfo@jkchemical.com;market6@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
21-61259100-
Fax
86-21-61259102
Email
sh@meryer.com
Country
China
ProdList
40264
Advantage
62
Alfa Aesar
Tel
400-610-6006; 021-67582000
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30159
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386 / 800-988-0390
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24555
Advantage
81
Energy Chemical
Tel
021-58432009-
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
43504
Advantage
61
Capot Chemical Co., Ltd
Tel
+86 (0) 571 85 58 67 18
Fax
0086-571-85864795
Email
sales@capotchem.com
Country
China
ProdList
18227
Advantage
66
Beijing Ouhe Technology Co., Ltd
Tel
010-82967028-
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
12356
Advantage
60
Adamas Reagent, Ltd.
Tel
400-600-9262
Email
bxy@titansci.com
Country
China
ProdList
13915
Advantage
59
Shanghai Hanhong Scientific Co.,Ltd.
Tel
;021-54306202- ;
Email
jerry.ma@hanhonggroup.com;jerry.ma@hanhonggroup.com;jerry.ma@hanhonggroup.com
Country
China
ProdList
43218
Advantage
64
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View Lastest Price from Ethyl Hexanoate manufacturers

Hebei Guanlang Biotechnology Co., Ltd.
Product
Ethyl Hexanoate 123-66-0
Price
US $1.00/PCS
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2021-07-14
career henan chemical co
Product
Ethyl Hexanoate 123-66-0
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
1ton
Release date
2019-07-11
career henan chemical co
Product
Ethyl Hexanoate 123-66-0
Price
US $10.00/KG
Min. Order
25KG
Purity
99%
Supply Ability
500KG
Release date
2018-08-01

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