Dimethyl 1,3-cyclohexanedicarboxylate

Basic Information

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CAS Number

62638-06-6

Molecular Formula

C10H16O4

Molecular Weight

200.23 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

258.1±15.0 ºC (760 Torr),

Density

1.102±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

120.7±18.8 ºC,

Refractive Index

1.4592 (589.3 nm 18 ºC)

SMILES

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O=C(C1CC(C(OC)=O)CCC1)OC

InChI

InChI=1S/C10H16O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h7-8H,3-6H2,1-2H3

InChIKey

BZUOYGUOKMUSPA-UHFFFAOYSA-N

LogP

1.1388

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

202

Synonyms & References

English

Dimethyl cyclohexane-1,3-dicarboxylate
CYCLOHEXANE-1,3-DICARBOXYLIC ACID DIMETHYL ESTER
cis-1,3-cyclohexanedicarboxylic acid diester
dimethyl 1,3-cyclohexanedicarboxylate
dimethyl hexahydroisophthalate
tetrahydroisophthalic acid dimethyl ester
1,3-dimethyl cyclohexane-1,3-dicarboxylate
trans-Cyclohexane-1,3-dicarboxylic acid dimethyl ester
1,3-Cyclohexanedicarboxylic acid, dimethyl ester
1,3-dimethyl trans-cyclohexane-1,3-dicarboxylate
cis-Cyclohexane-1,3-dicarboxylic acid dimethyl ester
1,3-Cyclohexanedicarboxylic acid, dimethyl ester, trans-
BZUOYGUOK

MDL Number

MFCD07779254

Customs Code

2917209090

FAQ

What are the physical and chemical properties of Dimethyl 1,3-cyclohexanedicarboxylate (CAS: 62638-06-6)?

Dimethyl 1,3-cyclohexanedicarboxylate is a colorless or slightly yellow liquid with a strong fruity odor. It has a molecular weight of approximately 266.37 g/mol and a boiling point of 227-229°C. This compound is slightly soluble in water but is highly soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It is also prone to oxidation and may form impurities upon prolonged storage.

How is Dimethyl 1,3-cyclohexanedicarboxylate (CAS: 62638-06-6) typically synthesized?

Dimethyl 1,3-cyclohexanedicarboxylate is typically synthesized from 1,3-cyclohexanedicarboxylic acid and dimethylformamide as a solvent. The reaction involves the esterification of the carboxylic acid groups with dimethyl sulfate, followed by the removal of the dimethyl sulfate. Commonly used catalysts include sulfuric acid or hydrochloric acid, and the yield is generally around 70-80%. The process is conducted under reflux conditions to ensure complete conversion.

What industries use Dimethyl 1,3-cyclohexanedicarboxylate (CAS: 62638-06-6)?

Dimethyl 1,3-cyclohexanedicarboxylate is primarily used in the polymer industry, particularly in the production of polyamides and polyesters. It is also employed in the pharmaceutical industry for the synthesis of certain drugs and intermediates. Additionally, it finds applications in the manufacturing of functional materials for sensors and semiconductors due to its chemical stability and specific functional groups.

What precautions should be taken when handling Dimethyl 1,3-cyclohexanedicarboxylate (CAS: 62638-06-6)?

When handling Dimethyl 1,3-cyclohexanedicarboxylate, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation of fumes. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. It is also important to follow the safety data sheet (SDS) guidelines for proper disposal and storage. This compound is not highly toxic, but it can cause skin and eye irritation, and prolonged exposure may lead to health issues.