Isopropyl (2E)-2-butenoate

Basic Information

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CAS Number

6284-46-4

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

Boiling Point

147°C

Density

0.89

Flash Point

40°C

Refractive Index

1.4220-1.4250

SMILES

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C/C=C/C(=O)OC(C)C

InChI

InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+

InChIKey

AABBHSMFGKYLKE-SNAWJCMRSA-N

LogP

1.5141

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

114

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

2-Butenoic acid,1-methylethyl ester, (2E)-
Isopropyl Crotonate
propan-2-yl (E)-but-2-enoate
CROTONIC ACID ISOPROPYL ESTER
Crotonic Acid Isopropyl Ester

MDL Number

MFCD00059053

Customs Code

2916190090

FAQ

What are the physical and chemical properties of Isopropyl (2E)-2-butenoate (CAS: 6284-46-4)?

Isopropyl (2E)-2-butenoate (CAS: 6284-46-4) is a colorless liquid with a fruity odor. It has a molecular weight of approximately 118.2 g/mol. Physically, it is miscible with water and many organic solvents. Chemically, it is relatively stable but can undergo hydrolysis under acidic conditions. It is used in synthesizing other compounds and as a fragrance ingredient.

How is Isopropyl (2E)-2-butenoate (CAS: 6284-46-4) typically synthesized?

Isopropyl (2E)-2-butenoate (CAS: 6284-46-4) is typically synthesized through an esterification reaction between isopropyl alcohol and methyl acrylate. The reaction is usually catalyzed by a strong acid like sulfuric acid, and the product is purified by distillation. This method provides good yields and selectivity.

What industries use Isopropyl (2E)-2-butenoate (CAS: 6284-46-4)?

Isopropyl (2E)-2-butenoate (CAS: 6284-46-4) is used in the fragrance and flavor industry, as a solvent in coatings and inks, and as a chemical intermediate in the synthesis of other compounds. It is also utilized in the pharmaceutical and polymer industries for its specific functional groups.

What precautions should be taken when handling Isopropyl (2E)-2-butenoate (CAS: 6284-46-4)?

When handling Isopropyl (2E)-2-butenoate (CAS: 6284-46-4), use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store it in a cool, well-ventilated area away from heat and ignition sources. Use a fume hood during handling to minimize inhalation risk. In case of spill, contain it with absorbent material and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.