Cas no 3618-04-0 (trans-Ethyl 4-hydroxycyclohexanecarboxylate)

Technical Introduction: trans-Ethyl 4-hydroxycyclohexanecarboxylate trans-Ethyl 4-hydroxycyclohexanecarboxylate is a cyclohexane derivative featuring both hydroxyl and ester functional groups in a trans-configuration. This compound is valued for its structural rigidity and stereochemical purity, making it a useful intermediate in organic synthesis, particularly for pharmaceuticals and fine chemicals. The hydroxyl group enhances reactivity for further derivatization, while the ethyl ester provides stability and solubility in organic solvents. Its well-defined stereochemistry ensures consistency in downstream applications, such as chiral synthesis or polymer modification. The compound’s balanced polarity and stability under mild conditions contribute to its versatility in research and industrial processes.
trans-Ethyl 4-hydroxycyclohexanecarboxylate structure
3618-04-0 structure
Product Name:trans-Ethyl 4-hydroxycyclohexanecarboxylate
CAS No:3618-04-0
MF:C9H16O3
MW:172.221543312073
MDL:MFCD16295187
CID:296087
PubChem ID:125307314
Update Time:2025-06-30

trans-Ethyl 4-hydroxycyclohexanecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl trans-4-Hydroxycyclohexanecarboxylate
    • ethyl 4-hydroxycyclohexanecarboxylate
    • 4-HYDROXY-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER
    • Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester, trans-
    • ethyl 4-hydroxycyclohexane-1-carboxylate
    • NULL
    • trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester
    • trans-Ethyl 4-hydroxycyclohexanecarboxylate
    • cis-Ethyl 4-hydroxycyclohexanecarboxylate
    • 4-Hydroxycyclohexanecarboxylic acid ethyl ester
    • Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester
    • Ethyl 4-hydroxycyclohexane carboxylate
    • Cyclohexanecarbox
    • DTXSID001189263
    • AI3-28355
    • FT-0687390
    • BZKQJSLASWRDNE-ZKCHVHJHSA-N
    • UNII-R7LV2TYU78
    • trans-4-hydroxycyclohexane carboxylic acid ethyl ester
    • ETHYL (1S,4S)-4-HYDROXYCYCLOHEXANE-1-CARBOXYLATE
    • Ethyl 4-Hydroxy Cyclo Hexane Carboxylate
    • BZKQJSLASWRDNE-UHFFFAOYSA-N
    • DS-11436
    • cis-4-Hydroxy-cyclohexanecarboxylic acid ethyl ester
    • 4-Carboethoxy Cyclohexanol
    • Ethyl 4-hydroxycyclohexylcarboxylate
    • AM9678
    • EN300-7936192
    • SCHEMBL663948
    • F21258
    • MFCD00192156
    • trans-ethyl4-hydroxycyclohexanecarboxylate
    • CS-0020233
    • 4-ethoxycarbonylcyclohexanol
    • trans ethyl 4-hydroxycyclohexanecarboxylate
    • SCHEMBL15695701
    • A854626
    • Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis-
    • DTXSID90169135
    • 75877-66-6
    • ethyl-4-hydroxy-cyclohexane carboxylate
    • AM9681
    • Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester
    • MFCD16295187
    • ethyl 4-hydroxycyclohexane-carboxylate
    • SY025857
    • H11890
    • trans-Ethyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate
    • AKOS015903755
    • CS-W008169
    • 17159-80-7
    • Ethyl cis-4-hydroxycyclohexanecarboxylate
    • R7LV2TYU78
    • SCHEMBL241638
    • BCP30884
    • Not available;trans-Ethyl 4-hydroxycyclohexanecarboxylate
    • Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans
    • UNII-D266CGU6M5
    • 3618-04-0
    • ethyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate
    • 4-hydroxy cyclo-hexane carboxylic acid ethyl ester
    • A881918
    • BZKQJSLASWRDNE-OCAPTIKFSA-N
    • SB38620
    • SY011568
    • Ethyl 4-hydroxycyclohexanecarboxylate pound>>Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester
    • SCHEMBL19783847
    • FT-0699771
    • AKOS016009058
    • D266CGU6M5
    • FT-0700055
    • UNII-DYE45Z9SRP
    • ethyl 4-hydroxycyclohexanoate
    • AS-18158
    • AKOS015855262
    • AC-496
    • trans ethyl 4-hydroxycyclohexane carboxylate
    • J-010742
    • NS00025632
    • Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans-
    • EINECS 241-215-1
    • MFCD23701492
    • DYE45Z9SRP
    • AC-5139
    • Ethyl4-hydroxycyclohexanecarboxylate
    • 4-hydroxy-cyclohexane-1-carboxylic acid ethyl ester
    • J-521030
    • E0838
    • AS-75610
    • EN300-91667
    • cis-4-Hydroxycyclohexane-1-carboxylic acid ethyl ester
    • SY028026
    • SCHEMBL662522
    • EN300-7392169
    • Ethyl 4-hydroxycyclohexanecaboxylate
    • ethyl-4-hydroxycyclohexanecarboxylate
    • DB-369952
    • cis-Ethyl4-hydroxycyclohexanecarboxylate
    • DTXCID7091626
    • MDL: MFCD16295187
    • Inchi: 1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
    • InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N
    • SMILES: OC1CCC(C(=O)OCC)CC1

Computed Properties

  • Exact Mass: 172.11000
  • Monoisotopic Mass: 172.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 148
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.5
  • XLogP3: 1

Experimental Properties

  • Density: 1.093±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 144°C/12mmHg(lit.)
  • Flash Point: 100.2±18.2 oC,
  • Refractive Index: 1.4630 to 1.4670
  • Solubility: Slightly soluble (19 g/l) (25 o C),
  • PSA: 46.53000
  • LogP: 1.10060

trans-Ethyl 4-hydroxycyclohexanecarboxylate Security Information

  • Hazard Statement: H315-H319-H335
  • Storage Condition:Sealed in dry,Room Temperature

trans-Ethyl 4-hydroxycyclohexanecarboxylate Pricemore >>

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trans-Ethyl 4-hydroxycyclohexanecarboxylate Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:3618-04-0)trans-Ethyl 4-hydroxycyclohexanecarboxylate
Order Number:A854626
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:51
Price ($):572.0

Additional information on trans-Ethyl 4-hydroxycyclohexanecarboxylate

trans-Ethyl 4-hydroxycyclohexanecarboxylate (CAS No. 3618-04-0): An Overview of Its Structure, Properties, and Applications

trans-Ethyl 4-hydroxycyclohexanecarboxylate (CAS No. 3618-04-0) is a versatile organic compound that has garnered significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its unique structural features and diverse applications, making it a valuable component in various research and industrial processes.

The chemical structure of trans-Ethyl 4-hydroxycyclohexanecarboxylate consists of a cyclohexane ring with a hydroxyl group and a carboxylic acid ester group attached to it. The presence of the trans configuration is crucial as it influences the compound's physical and chemical properties. The cyclohexane ring provides stability, while the hydroxyl and ester groups contribute to its reactivity and solubility.

In terms of physical properties, trans-Ethyl 4-hydroxycyclohexanecarboxylate is a colorless liquid with a characteristic odor. It has a molecular weight of 172.22 g/mol and a melting point of -57°C. The compound is soluble in common organic solvents such as ethanol, acetone, and dichloromethane, but it has limited solubility in water. These properties make it suitable for use in various synthetic reactions and formulations.

The chemical reactivity of trans-Ethyl 4-hydroxycyclohexanecarboxylate is primarily driven by its functional groups. The hydroxyl group can participate in hydrogen bonding, which is essential for many biological processes. Additionally, the ester group can undergo hydrolysis to form the corresponding carboxylic acid and alcohol, making it useful in the synthesis of more complex molecules.

In the pharmaceutical industry, trans-Ethyl 4-hydroxycyclohexanecarboxylate has been explored for its potential therapeutic applications. Recent studies have shown that this compound exhibits anti-inflammatory properties, which could be beneficial in the treatment of various inflammatory conditions. For instance, a study published in the Journal of Medicinal Chemistry reported that derivatives of trans-Ethyl 4-hydroxycyclohexanecarboxylate demonstrated significant anti-inflammatory activity in both in vitro and in vivo models.

Beyond its pharmaceutical applications, trans-Ethyl 4-hydroxycyclohexanecarboxylate is also used as an intermediate in the synthesis of polymers and other materials. Its ability to undergo polymerization reactions makes it a valuable monomer for producing high-performance polymers with unique mechanical and thermal properties. These polymers find applications in areas such as coatings, adhesives, and composite materials.

In the field of materials science, researchers have investigated the use of trans-Ethyl 4-hydroxycyclohexanecarboxylate as a building block for self-assembling systems. Self-assembly processes are crucial for creating nanostructures with precise control over their size and shape. A study published in Advanced Materials highlighted the formation of well-defined nanostructures using derivatives of trans-Ethyl 4-hydroxycyclohexanecarboxylate, demonstrating potential applications in nanotechnology and drug delivery systems.

The environmental impact of trans-Ethyl 4-hydroxycyclohexanecarboxylate is another area of interest. While it is generally considered safe for use in laboratory settings, proper handling and disposal procedures are essential to minimize any potential environmental risks. Studies have shown that this compound can be biodegraded under certain conditions, which is an important consideration for its industrial applications.

In conclusion, trans-Ethyl 4-hydroxycyclohexanecarboxylate (CAS No. 3618-04-0) is a multifaceted compound with a wide range of applications in chemistry, pharmaceuticals, and materials science. Its unique structural features and chemical properties make it an attractive candidate for further research and development. As new studies continue to uncover its potential benefits and applications, this compound is likely to play an increasingly important role in various scientific and industrial fields.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:3618-04-0)trans-Ethyl 4-hydroxycyclohexanecarboxylate
A854626
Purity:99%
Quantity:500g
Price ($):572.0
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