Mono-Cyclohexyl Phthalate-3,4,5,6-d

Basic Information

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CAS Number

1398066-18-6

Molecular Formula

C14H15O4-

Molecular Weight

252.3 g/mol

Basic Physical Properties

Physical State

White to Off-White

Melting Point

97-98°C

Solubility

Aqueous Base (Slightly), Chloroform (Slightly), Methanol (Slightly)

SMILES

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c1([2H])c([2H])c([2H])c(c(c1[2H])C(=O)OC1CCCCC1)C(=O)O

InChI

InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)/i4D,5D,8D,9D

InChIKey

PMDKYLLIOLFQPO-DOGSKSIHSA-N

LogP

2.8743000000000007

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

301

Synonyms & References

English

Monocyclohexyl Phthalate-d4
mono-Cyclohexyl Phthalate-3,4,5,6-d4
Phthalic Acid Monocyclohexyl Ester-D4 (MCHP-D4)
Monocyclohexyl Phtha
CID 131698665
Mono-Cyclohexyl Phthalate-3,4,5,6-d

FAQ

What are the physical and chemical properties of Mono-Cyclohexyl Phthalate-3,4,5,6-d (CAS: 1398066-18-6)?

Mono-Cyclohexyl Phthalate-3,4,5,6-d (CAS: 1398066-18-6) is a clear, colorless liquid with a molecular weight of approximately 292.45 g/mol. It has a solubility in water of less than 1 g/L at 20°C. Chemically, it is relatively stable but can undergo mild hydrolysis in the presence of water and strong acids or bases. The compound is miscible with most organic solvents and has a slight odor.

How is Mono-Cyclohexyl Phthalate-3,4,5,6-d (CAS: 1398066-18-6) typically synthesized?

Mono-Cyclohexyl Phthalate-3,4,5,6-d is typically synthesized through the esterification of phthalic anhydride and cyclohexanol. The reaction is catalyzed by an acid, such as sulfuric acid, at elevated temperatures. The process involves the formation of the ester bond between the phthalic anhydride and cyclohexanol. The yield is generally high, and the product is isolated by washing and drying steps.

What industries use Mono-Cyclohexyl Phthalate-3,4,5,6-d (CAS: 1398066-18-6)?

Mono-Cyclohexyl Phthalate-3,4,5,6-d (CAS: 1398066-18-6) is used in various industries, including polymer modification, plasticizers, and formulations. It is particularly useful in the production of flexible polyurethane foams and as a plasticizer in various elastomers. Its chemical properties make it suitable for applications requiring a balance of flexibility and durability.

What precautions should be taken when handling Mono-Cyclohexyl Phthalate-3,4,5,6-d (CAS: 1398066-18-6)?

When handling Mono-Cyclohexyl Phthalate-3,4,5,6-d (CAS: 1398066-18-6), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed emergency response procedures.