Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

Basic Information

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CAS Number

97-41-6

Molecular Formula

C12H20O2

Molecular Weight

196.29 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

Boiling Point

112 °C/10 mmHg

Density

0.906 g/mL at 25 °C

Refractive Index

n20/D 1.461(lit.)

SMILES

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CCOC(=O)C1C(C=C(C)C)C1(C)C

InChI

InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3

InChIKey

VIMXTGUGWLAOFZ-UHFFFAOYSA-N

LogP

2.7879000000000014

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

260

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Ethyl 2,2-dimethyl-3-(1-isobutenyl)cyclopropane-1-carboxylate
ethyl chrysanthemate, mixed isomers cis and trans
chrysanthemum monocarboxylic acid ethyl ester
ethyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
Ethyl Chrysanthemate (Primary)
Ethyl chrysanthemate
Chrysanthemic acid ethyl ester
Primary ethyl chrysanthemate
Ethyl chrysanthemat
Chrysanthemylmonocarboxylic Acid Ethyl Ester
Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate
Ethyl chrysanthemumate
ethyl (+/-)-cis,trans-chrysanthemate
ethyl 3,3-dimethyl-2-(2-methyl-1-propenyl)-1-cyclopropanecarboxylate
ethyl 3,3-dimethyl-2-(2-metyl-1-propenyl)cyclopropanecarboxylate
Ethyl chrisanthemate
Ethyl ChrsantheMuMate
ETHYL CHRY
ethyl cis,trans-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate
2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylic Acid Ethyl Ester
Ethylchrysanthemate
chrysanthemic acid, ethyl ester
CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, ETHYL ESTER
Ethyl 2,2-dimethyl-3-
Chrysanthemummonocarboxylic acid, ethyl ester (6CI)
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester (9CI)
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester (8CI)
Chrysanthemumic acid ethyl ester
Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate

MDL Number

MFCD00001304

Customs Code

2916209090

FAQ

What are the physical and chemical properties of Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6)?

Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6) is a colorless liquid at room temperature. It has a molecular weight of approximately 210.36 g/mol. The compound is soluble in organic solvents like ethanol and acetone. It shows moderate reactivity with nucleophiles and electrophiles, and its stability under normal conditions is good. Due to its unique structure, it can form crystalline forms under specific conditions.

How is Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6) typically synthesized?

Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6) can be synthesized through a series of reactions involving cyclopropanation and subsequent alkylation. Commonly, this involves the use of alkyl halides and a catalytic system. The reaction conditions include the use of a catalytic amount of a transition metal catalyst, such as palladium or rhodium, along with a ligand. The overall yield is typically around 80-90%, with good selectivity towards the desired product.

What industries use Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6)?

Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6) is primarily used in the pharmaceutical industry for the synthesis of certain drug molecules. It also finds applications in the polymer industry as a monomer for the development of new materials. Additionally, it is used in the semiconductor industry for specific chemical processes. Its unique chemical properties make it valuable in these sectors.

What precautions should be taken when handling Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6)?

When handling Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate (CAS: 97-41-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be handled with caution using an appropriate absorbent material and the area should be cleaned with water and detergent. Refer to the Safety Data Sheet (SDS) for detailed instructions and emergency procedures.