Ethyl Hexanoate

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Product Description

Ethyl hexanoate；Ethyl caproate's cas code is 123-66-0

Product Detail

Ethyl Hexanoate Basic information

Description References

Product Name:	Ethyl Hexanoate
Synonyms:	Ethyl caproate, 99+%;CAPROIC ACID ETHYLESTER(SG);Ethylhrxanoate ;α-ethylcarpotic acid;2-ETHYLHEXANOATE;ETHYLCAPRONAT;Ethylhexanoat;Caproic acid ethyl
CAS:	123-66-0
MF:	C8H16O2
MW:	144.21
EINECS:	204-640-3
Product Categories:
Mol File:	123-66-0.mol

Ethyl Hexanoate Chemical Properties

Melting point	-67°C
Boiling point	168 °C(lit.)
density	0.871 g/mL at 20 °C(lit.)
vapor density	5 (vs air)
FEMA	2439 \| ETHYL HEXANOATE
refractive index	n20/D 1.407
Fp	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)

Ethyl Hexanoate Safety Information

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

Ethyl Hexanoate Usage And Synthesis

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.
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.
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.

Ethyl Hexanoate Preparation Products And Raw materials

Raw materials	Etanol-->Sodium carbonate-->Calcium chloride-->Anthraquinone-->Hexanoic acid
Preparation Products	cis-DL-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid-->ethyl 4,6,6,6-tetrachloro-3,3-dimethylhexanoate