Cas no 5406-30-4 (6-methylcyclohex-3-ene-1-carboxylic Acid)

6-Methylcyclohex-3-ene-1-carboxylic acid is a cyclohexene derivative featuring a carboxylic acid functional group at the 1-position and a methyl substituent at the 6-position. This compound is of interest in organic synthesis due to its unsaturated cyclic structure, which allows for further functionalization via reactions such as hydrogenation, oxidation, or conjugate addition. The carboxylic acid group enhances its utility as a building block for esters, amides, or other derivatives. Its structural features make it valuable in pharmaceutical and agrochemical research, where modified cyclohexene frameworks are often employed. The compound is typically handled under standard laboratory conditions, with attention to stability and reactivity considerations.
6-methylcyclohex-3-ene-1-carboxylic Acid structure
5406-30-4 structure
Product Name:6-methylcyclohex-3-ene-1-carboxylic Acid
CAS No:5406-30-4
MF:C8H12O2
MW:140.179682731628
MDL:MFCD09841865
CID:1586872
PubChem ID:221278
Update Time:2025-11-02

6-methylcyclohex-3-ene-1-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 6-methylcyclohex-3-ene-1-carboxylic acid
    • trans-1-Methyl-4-cyclohexene-2-carboxylic acid
    • trans-6-methyl-3-cyclohexenecarboxylic acid
    • Einecs 233-978-4
    • trans-2-methyl-4-cyclohexenecarboxylic acid
    • 3-Cyclohexene-1-carboxylic acid, 6-methyl-, (1R,6R)-rel-
    • (1RS,6RS)-6-methyl-3-cyclohexene-1-carboxylic acid
    • siglure acid
    • trans-6-methyl-3-cyclohexene-1-carboxylic acid
    • (+-)-trans-6-methyl-cyclohex-3-enecarboxylic acid
    • trans-2-methylcyclohex-2-ene carboxylic acid
    • 3-Cyclohexene-1-carboxylic acid,6-methyl-,(1R,6R)-rel
    • NSC 5657
    • NSC 6981
    • 10479-42-2
    • M3298
    • UTEIUSUWIZICDO-UHFFFAOYSA-N
    • A833325
    • SB45202
    • AKOS006329425
    • 6-methylcyclohex-3-ene-1-carboxylicacid
    • 6-Methyl-3-cyclohexene-1-carboxylic acid
    • NSC-6981
    • EN300-204628
    • DB-156385
    • 5406-30-4
    • (1R,6R)-6-Methylcyclohex-3-enecarboxylic acid
    • (1R,6R)-6-methylcyclohex-3-ene-1-carboxylic acid
    • SCHEMBL2916591
    • DTXSID40968892
    • SB12951
    • trans-6-Methylcyclohex-3-enecarboxylic acid
    • NSC5657
    • NSC-5657
    • (-)-6-methyl-3-cyclohexenecarboxylic acid
    • trans-6-Methylcyclohex-3-ene-1-carboxylic acid
    • 6-methyl-1-cyclohex-3-enecarboxylic acid
    • (1RS, 6RS)-6-methyl-3-cyclohexene-1-carboxylic acid
    • MFCD09841865
    • NSC6981
    • 6-methylcyclohex-3-ene-1-carboxylic Acid
    • MDL: MFCD09841865
    • Inchi: 1S/C8H12O2/c1-6-4-2-3-5-7(6)8(9)10/h2-3,6-7H,4-5H2,1H3,(H,9,10)
    • InChI Key: UTEIUSUWIZICDO-UHFFFAOYSA-N
    • SMILES: OC(C1CC=CCC1C)=O

Computed Properties

  • Exact Mass: 140.08400
  • Monoisotopic Mass: 140.084
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 161
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.062±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 246.0±19.0 oC (760 Torr),
  • Flash Point: 114.2±16.2 oC,
  • Refractive Index: 1.488
  • Solubility: Slightly soluble (5.6 g/l) (25 o C),
  • PSA: 37.30000
  • LogP: 1.67330

6-methylcyclohex-3-ene-1-carboxylic Acid Customs Data

  • HS CODE:2916209090
  • Customs Data:

    China Customs Code:

    2916209090

    Overview:

    2916209090 other(Cycloalkane\Cycloene\Cyclic terpene)Monocarboxylic acid(Including anhydrides\Acyl halide,Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

6-methylcyclohex-3-ene-1-carboxylic Acid Pricemore >>

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6-methylcyclohex-3-ene-1-carboxylic Acid Production Method

6-methylcyclohex-3-ene-1-carboxylic Acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:5406-30-4)6-methylcyclohex-3-ene-1-carboxylic Acid
Order Number:A1041870
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:11
Price ($):642.0

Additional information on 6-methylcyclohex-3-ene-1-carboxylic Acid

6-Methylcyclohex-3-ene-1-carboxylic Acid (CAS No. 5406-30-4): Properties, Applications, and Market Insights

6-Methylcyclohex-3-ene-1-carboxylic Acid (CAS No. 5406-30-4) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical intermediates, flavor and fragrance chemistry, and organic synthesis. This cyclohexene derivative, characterized by a carboxylic acid functional group and a methyl substituent, serves as a versatile building block in various chemical processes. Its molecular formula, C8H12O2, and unique structural features make it valuable for researchers and industries alike.

The compound's physical and chemical properties contribute to its wide-ranging applications. With a molecular weight of 140.18 g/mol, 6-Methylcyclohex-3-ene-1-carboxylic Acid typically appears as a colorless to pale yellow liquid at room temperature. Its solubility profile—moderately soluble in organic solvents like ethanol and acetone but sparingly soluble in water—makes it particularly useful in organic synthesis. The presence of both a carboxylic acid group and a double bond in its structure allows for diverse chemical transformations, including esterification, hydrogenation, and Diels-Alder reactions.

In the pharmaceutical industry, 5406-30-4 serves as a key intermediate for the synthesis of more complex molecules. Recent trends in drug discovery have highlighted the importance of such cyclohexene derivatives in developing anti-inflammatory agents and central nervous system (CNS) drugs. The compound's structural motif appears in several bioactive molecules, making it a valuable starting material for medicinal chemistry research. With the growing demand for small molecule therapeutics, the relevance of 6-Methylcyclohex-3-ene-1-carboxylic Acid continues to increase.

The flavor and fragrance industry represents another significant application area for this compound. Its structural similarity to naturally occurring terpenes allows it to serve as a precursor for various aroma chemicals. In particular, derivatives of 6-Methylcyclohex-3-ene-1-carboxylic Acid contribute to woody, citrus, and herbal scent profiles, making them valuable in perfumery and food flavoring. As consumer preferences shift toward natural identical flavors, the demand for such intermediates has seen steady growth.

From a synthetic chemistry perspective, CAS 5406-30-4 offers numerous possibilities. The compound's reactive sites allow for selective modifications, enabling chemists to create diverse molecular architectures. Recent publications have demonstrated its utility in asymmetric synthesis and catalysis, particularly in constructing chiral centers—a crucial aspect of modern pharmaceutical development. The compound's versatility aligns well with current research trends in green chemistry and atom economy.

The market dynamics for 6-Methylcyclohex-3-ene-1-carboxylic Acid reflect its growing importance. Major chemical suppliers have reported increased demand, particularly from contract research organizations (CROs) and specialty chemical manufacturers. Pricing trends indicate moderate stability, with fluctuations primarily tied to raw material availability. The compound's global market shows particular strength in North America and Europe, where pharmaceutical and fragrance industries are well-established.

Quality control and analytical characterization of 5406-30-4 remain critical for end-users. Standard analytical techniques include gas chromatography (GC), high-performance liquid chromatography (HPLC), and nuclear magnetic resonance (NMR) spectroscopy. These methods ensure purity and confirm structural integrity, which are essential for research and industrial applications. Recent advancements in analytical chemistry have enabled more precise quantification of impurities, meeting the stringent requirements of pharmaceutical applications.

Storage and handling recommendations for 6-Methylcyclohex-3-ene-1-carboxylic Acid follow standard practices for carboxylic acids. The compound should be stored in airtight containers under inert atmosphere to prevent oxidation. While not classified as hazardous under normal conditions, proper laboratory safety protocols should always be observed. The compound's stability profile makes it suitable for long-term storage when proper conditions are maintained.

Future prospects for CAS No. 5406-30-4 appear promising, particularly in emerging fields like biocatalysis and sustainable chemistry. Researchers are exploring enzymatic transformations of this compound to create more environmentally friendly synthetic routes. Additionally, its potential in material science, particularly as a monomer for specialty polymers, represents an exciting development area. As industries continue to seek bio-based alternatives to petroleum-derived chemicals, compounds like 6-Methylcyclohex-3-ene-1-carboxylic Acid will likely gain further significance.

For researchers and procurement specialists seeking high purity 6-Methylcyclohex-3-ene-1-carboxylic Acid, several commercial sources exist. Reputable suppliers typically offer the compound in various quantities, from gram-scale for laboratory use to kilogram quantities for industrial applications. Technical data sheets and certificates of analysis (CoA) are generally available upon request, ensuring users can verify quality parameters before purchase.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:5406-30-4)6-methylcyclohex-3-ene-1-carboxylic Acid
A1041870
Purity:99%
Quantity:1g
Price ($):642.0
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