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 |
|
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) |
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 |
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. |
References |
[1] D. L. J. Opdyke
(1974) Monographs on Fragrance Raw Materials |
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. |
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 |