Ethyl (2E)-2-hexenoate

Basic Information

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CAS Number

27829-72-7

Molecular Formula

C8H14O2

Molecular Weight

142.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

−2 °C

Boiling Point

85°C/25mmHg

Flash Point

>230 °F

Refractive Index

n20/D 1.46(lit.)

SMILES

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CCC/C=C/C(=O)OCC

InChI

InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+

InChIKey

SJRXWMQZUAOMRJ-VOTSOKGWSA-N

LogP

1.9058

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

116

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

Ethyl hex-2-enoate
trans-2-Hexenoic acid ethyl ester
Ethyl trans-2-hexenoate
(2E)-2-Hexenoic Acid Ethyl Ester
Ethyl (E)-hex-2-enoate
E-2-hexenic acid ethyl ester
ETHYL 2-HEXENOATE
ETHYL T2 HEXENOATE
FEMA 3675
RARECHEM AL BI 0150
2-Hexenoic acid, ethyl ester
2-Hexenoic acid, ethyl ester, (2E)-
Ethyl 2E-hexenoate
Ethyl (E)-2-hexenoate
Ethyl (E)hex-2-enoate
(E)-ethyl hex-2-enoate
OL4EUZ6C13
Ethyl ester of 2-hexenoic acid
SJRXWMQZUAOMRJ-VOTSOKGWSA-N
FEMA No. 3675
2-Hexenoic acid, ethyl ester, (E)-
Ethyl(E)-hex-2-enoate
trans-2-Hexenoic Acid Ethyl Ester

MDL Number

MFCD00036541

FAQ

What is Ethyl (2E)-2-hexenoate (CAS: 27829-72-7)?

Ethyl (2E)-2-hexenoate, also known as methyl crotonate, is an organic compound with the formula C8H14O2. It is a colorless liquid with a distinctive fruity aroma. This compound is often used in the perfume industry and as a flavoring agent in food products.

What are the main uses of Ethyl (2E)-2-hexenoate (CAS: 27829-72-7)?

Ethyl (2E)-2-hexenoate is primarily used as a flavoring agent in the food industry, particularly in the production of fruits and citrus flavors. It is also used in the perfume industry for fragrances. Additionally, it is applied in research and development as a solvent and chemical intermediate.

Is Ethyl (2E)-2-hexenoate (CAS: 27829-72-7) safe?

Ethyl (2E)-2-hexenoate is considered safe for use in food and fragrance products when used in accordance with regulatory guidelines. However, it is important to follow safety precautions, such as handling with gloves and in a well-ventilated area, to prevent inhalation or skin contact.

How should Ethyl (2E)-2-hexenoate (CAS: 27829-72-7) be stored?

Ethyl (2E)-2-hexenoate should be stored in a cool, dry place away from direct sunlight and sources of ignition. The container should be tightly sealed to prevent evaporation and contamination. It is recommended to store it at room temperature (15-25°C) and avoid exposing it to temperatures above 30°C to maintain its stability.