Methyl 3-cyclohexene-1-carboxylate

Basic Information

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CAS Number

6493-77-2

Molecular Formula

C8H12O2

Molecular Weight

140.18 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

185°C

Density

1,02 g/cm3

Flash Point

60°C

Refractive Index

1.4600-1.4620

SMILES

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COC(=O)C1CCC=CC1

InChI

InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

InChIKey

IPUNVLFESXFVFH-UHFFFAOYSA-N

LogP

1.5156999999999998

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

149

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

Synonyms & References

English

DTXSID30884315
3-Cyclohexene-1-carboxylic acid, methyl ester, (1R)-
Methyl 1,3,6-tetrahydrobenzoate
NS00047290
NSC93912
Z18245232
CYCLOHEXENE-4-CARBOXYLIC ACID METHYL ESTER
Methyl-3-cyclohexene-1-carboxylate
NSC 93912
SB13641
Methyl (S)-3-Cyclohexenecarboxylate
Methyl 3-cyclohexene-1-carboxylate
FT-0615563
Methyl 3-cyclohexenecarboxylate
EN300-159788
NSC-93912
SCHEMBL91215
3-Cyclohexene-1-carboxylic acid, methyl ester
3-CYCLOHEXENE-1-CARBOXYLICACIDMETHYLESTER
EINECS 229-376-6
MFCD00053266
6493-77-2
AI3-28337
AKOS006229745
SY343941
H10726
MFCD18830681
Methyl cyclohex-3-enecarboxylate
PS-11883
Methyl 1,2,3,6-tetrahydrobenzoate
Methylcyclohex-3-enecarboxylate

MDL Number

MFCD00053266

Customs Code

2916209090

FAQ

What are the physical and chemical properties of Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2)?

Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2) is a colorless to light yellow liquid with a boiling point of 125°C and a molecular weight of 132.21 g/mol. It has a low solubility in water but is soluble in organic solvents. This compound is moderately reactive, particularly in respect to acid and base catalysis. It is an important intermediate in organic synthesis and has potential applications in pharmaceuticals and polymer chemistry.

How is Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2) typically synthesized?

Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2) is typically synthesized via the methylation of 3-cyclohexene-1-carboxylic acid using methyl iodide in the presence of a base, such as potassium carbonate. The reaction occurs under mild conditions and can be conducted in solvents like acetonitrile. The yield is generally good, and the product can be isolated by simple extraction and purification methods.

What industries use Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2)?

Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2) is used in the pharmaceutical industry for the synthesis of various drug candidates, as well as in the polymer industry for the production of advanced materials. It also finds applications in the manufacturing of sensors and semiconductors, where its unique chemical properties are exploited.

What precautions should be taken when handling Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2)?

When handling Methyl 3-cyclohexene-1-carboxylate (CAS: 6493-77-2), it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place, away from heat and ignition sources. Handling should be done in a well-ventilated area, preferably a fume hood. In case of a spill, ensure proper containment and disposal according to the Material Safety Data Sheet (MSDS/SDS).