Ethyl 3-methyl-2-butenoate

Basic Information

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CAS Number

638-10-8

Molecular Formula

C7H12O2

Molecular Weight

128.17 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

-62.68°C (estimate)

Boiling Point

154-155 °C

Density

0.922 g/mL at 25 °C

Refractive Index

n20/D 1.436(lit.)

SMILES

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CCOC(=O)C=C(C)C

InChI

InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3

InChIKey

UTXVCHVLDOLVPC-UHFFFAOYSA-N

LogP

1.5157

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

121

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Stability

Stable. Flammable. Incompatible with acids, bases, oxidizing agents, reducing agents.

Synonyms & References

English

Ethyl 3-methylbut-2-enoate
ethyl 3-methylcrotonate
Ethylbetabetadimethylacrylate
ETHYL-SENECIOATE
Ethyl-Beta,Beta-Dimethyl Acrylate
Ethyl 3-Methyl-2-butenoate
3,3-DiMethylacrylic Acid Ethyl Ester
Ethyl 3,3-Dimethylacrylate
3-Methyl-2-butenoic Acid Ethyl Ester
3-Methylcrotonic Acid Ethyl Ester
Ethyl senecioate
Ethyl isobutenoate
2-Butenoic acid, 3-methyl-, ethyl ester
Ethyl isopropylideneacetate
Ethyl beta-methylcrotonate
Ethyl isopropylidene acetate
CROTONIC ACID, 3-METHYL-, ETHYL ESTER
Ethyl dimethylacrylate
Ethyl beta,beta-dimethylacrylate
UNII
3,3-Dimethylacrylic Acid Ethyl Ester
3-Methyl-2-butenoic acid ethyl ester
Ethyl 3-methylcrotonate

MDL Number

MFCD00009187

Customs Code

2916190090

FAQ

What are the physical and chemical properties of Ethyl 3-methyl-2-butenoate (CAS: 638-10-8)?

Ethyl 3-methyl-2-butenoate (CAS: 638-10-8) is a colorless to light yellow liquid with a fruity odor. It has a molecular weight of approximately 114.17 g/mol and a boiling point of 109-110°C. The compound is moderately soluble in water but miscible with most organic solvents. It is weakly acidic and exhibits reactivity towards nucleophiles and bases.

How is Ethyl 3-methyl-2-butenoate (CAS: 638-10-8) typically synthesized?

Ethyl 3-methyl-2-butenoate is typically synthesized by the esterification of 3-methyl-2-butyraldehyde with ethanol. The process often involves the use of a strong acid catalyst like sulfuric acid. The yield is usually around 75-85%, and the product can be purified by distillation or recrystallization.

What industries use Ethyl 3-methyl-2-butenoate (CAS: 638-10-8)?

Ethyl 3-methyl-2-butenoate (CAS: 638-10-8) is primarily used in the food and fragrance industry as a flavoring agent. It is also used in the perfume and cosmetic industries due to its fruity scent. Additionally, it is utilized in small quantities in the pharmaceutical industry for certain applications.

What precautions should be taken when handling Ethyl 3-methyl-2-butenoate (CAS: 638-10-8)?

When handling Ethyl 3-methyl-2-butenoate (CAS: 638-10-8), it is important to use appropriate personal protective equipment (PPE), such as gloves and safety glasses. Ensure good ventilation in the work area. Store the compound in a cool, dry place, away from incompatible materials like strong oxidizers. In case of a spill, use appropriate spill kits and follow safety data sheet (SDS) guidelines for disposal.