Cas no 71101-89-8 (4-butylcyclohexane-1-carboxylic acid)

4-Butylcyclohexane-1-carboxylic acid is a cycloaliphatic carboxylic acid characterized by its stable cyclohexane backbone and a butyl substituent at the 4-position. This structure imparts a balance of lipophilicity and steric properties, making it a useful intermediate in organic synthesis, particularly for the preparation of esters, amides, and other derivatives. Its cyclohexane ring enhances conformational stability, while the carboxylic acid group provides reactivity for further functionalization. The compound is often employed in pharmaceutical and agrochemical research due to its potential as a building block for bioactive molecules. Its relatively low volatility and moderate solubility in organic solvents further enhance its utility in synthetic applications.
4-butylcyclohexane-1-carboxylic acid structure
71101-89-8 structure
Product Name:4-butylcyclohexane-1-carboxylic acid
CAS No:71101-89-8
MF:C11H20O2
MW:184.2753
MDL:MFCD00460757
CID:976107
PubChem ID:2060518
Update Time:2025-05-24

4-butylcyclohexane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-butylcyclohexane carboxylic acid
    • 4-Butylcyclohexanecarboxylic Acid (cis- and trans- mixture)
    • 4-(4-butylcyclohexyl)-,
    • 4-(4-BUTYLCYCLOHEXYL)BENZONITRILE
    • 4-(Butyl)cyclohexancarbonsaeure
    • 4-butylcyclohexylcarboxylic acid
    • 4-n-butylcyclohexane carboxylic acid
    • trans-4-(4-butylcyclohexyl)benzonitrile
    • trans-4-butyl-(4-cyanophenyl) cyclohexane
    • trans-4-Butyl-1-(4-cyanophenyl)cyclohexane
    • trans-4-butylcyclohexane carboxylic acid
    • Trans-4-butylcyclohexyl-4-benzonitrile
    • trans-4-n-butylcyclohexanecarboxylic acid
    • trans-4-Butylcyclohexanecarboxylic Acid
    • 4-butylcyclohexanecarboxylic acid
    • 4-butylcyclohexane-1-carboxylic acid
    • 4-n-Butylcyclohexanecarboxylic acid
    • Cyclohexanecarboxylic acid, 4-butyl-
    • (1s,4r)-4-butylcyclohexanecarboxylic acid
    • Cyclohexanecarboxylic acid, 4-butyl-, trans-
    • Enamine_005334
    • B
    • GTPL11309
    • Bucyclic acid
    • AB02363
    • s10738
    • BALGERHMIXFENA-UHFFFAOYSA-N
    • B1136
    • S11585
    • CDB-2725
    • Cis-4-butylcyclohexanecarboxylic acid
    • trans-4-butylcyclohexane-1-carboxylic acid
    • ZHKM-897
    • BALGERHMIXFENA-AOOOYVTPSA-N
    • B2986
    • 4-BUTYLCYCLOHEXANECARBOXYLICACID
    • 38289-28-0
    • Bucyclic acid, trans
    • STK503669
    • buciclic acid
    • C8XG78Y2T5
    • SCHEMBL1472144
    • 4-Butylcyclohexanecarboxylic acid, AldrichCPR
    • DTXSID50959211
    • Bucyclic acid, cis-
    • (1S,4R)-4-BUTYLCYCLOHEXANE-1-CARBOXYLIC ACID
    • AS-10798
    • cis-4- n-butylcyclohexanecarboxylic acid
    • BS-22323
    • AKOS001051963
    • Oprea1_862776
    • SCHEMBL1507888
    • SCHEMBL10392569
    • V8G
    • PD134020
    • 4-BCCA
    • UNII-C8XG78Y2T5
    • HMS1409C10
    • MFCD00460757
    • EN300-05857
    • AKOS015915028
    • UNII-R2PQJ6SF7B
    • R2PQJ6SF7B
    • F2191-0238
    • cis-4-n-butylcyclohexanecarboxylic acid
    • Z56911948
    • Cyclohexanecarboxylic acid, 4-butyl-, cis-
    • ALBB-006014
    • 67589-83-7
    • 71101-89-8
    • MFCD00059560
    • MDL: MFCD00460757
    • Inchi: 1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
    • InChI Key: BALGERHMIXFENA-UHFFFAOYSA-N
    • SMILES: O([H])C(C1([H])C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H])=O

Computed Properties

  • Exact Mass: 184.14600
  • Monoisotopic Mass: 184.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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: 37.3
  • XLogP3: 3.7

Experimental Properties

  • Color/Form: Colorless to light yellow transparent liquid.
  • Density: 0.97
  • Melting Point: 35-39°C
  • Boiling Point: 287.7±8.0 °C at 760 mmHg
  • Flash Point: 138.6±13.1 °C
  • Refractive Index: 1.46
  • PSA: 37.30000
  • LogP: 3.06760
  • Solubility: Soluble in methanol
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

4-butylcyclohexane-1-carboxylic acid Security Information

4-butylcyclohexane-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%

4-butylcyclohexane-1-carboxylic acid Pricemore >>

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4-butylcyclohexane-1-carboxylic acid Production Method

4-butylcyclohexane-1-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:71101-89-8)4-butylcyclohexane-1-carboxylic acid
Order Number:A866493
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:59
Price ($):380.0

4-butylcyclohexane-1-carboxylic acid Related Literature

Additional information on 4-butylcyclohexane-1-carboxylic acid

Professional Introduction to 4-butylcyclohexane-1-carboxylic acid (CAS No. 71101-89-8)

4-butylcyclohexane-1-carboxylic acid, identified by its Chemical Abstracts Service (CAS) number 71101-89-8, is a significant compound in the realm of organic chemistry and pharmaceutical research. This molecule, featuring a cyclohexane ring substituted with a butyl group at the first carbon and a carboxylic acid functional group at the fourth position, has garnered attention due to its versatile applications and structural properties. The compound’s unique configuration makes it a valuable intermediate in synthesizing various derivatives, which are explored for their potential in medicinal chemistry and material science.

The structural framework of 4-butylcyclohexane-1-carboxylic acid contributes to its distinct chemical behavior. The cyclohexane ring provides a stable, non-planar backbone, which influences the molecule’s solubility, reactivity, and interactions with biological targets. The presence of the butyl group enhances lipophilicity, making the compound more soluble in organic solvents and potentially facilitating its absorption in biological systems. Meanwhile, the carboxylic acid moiety introduces polarity and reactivity, enabling further functionalization through esterification, amidation, or other transformations.

In recent years, 4-butylcyclohexane-1-carboxylic acid has been studied for its role in developing novel pharmaceutical agents. Researchers have leveraged its structural motif to design molecules with specific biological activities. For instance, derivatives of this compound have been investigated for their potential as modulators of enzyme activity and as intermediates in the synthesis of anti-inflammatory and analgesic drugs. The cyclohexane scaffold is particularly favored in drug design due to its ability to mimic natural biomolecules and its compatibility with biological membranes.

One of the most compelling aspects of 4-butylcyclohexane-1-carboxylic acid is its utility as a building block for more complex molecules. Its modular structure allows chemists to introduce various substituents at different positions, creating a library of compounds with tailored properties. This flexibility has been exploited in high-throughput screening campaigns to identify lead compounds for therapeutic development. Additionally, the compound’s stability under various reaction conditions makes it an attractive choice for synthetic routes requiring harsh reagents or prolonged reaction times.

The pharmaceutical industry has shown particular interest in 4-butylcyclohexane-1-carboxylic acid due to its potential as a prodrug or precursor for active pharmaceutical ingredients (APIs). Prodrugs are designed to improve drug delivery by being converted into active forms within the body. The structural features of this compound make it an excellent candidate for such applications, as it can be engineered to release active molecules under specific physiological conditions. Furthermore, its compatibility with solid-state formulations enhances its suitability for oral and topical drug delivery systems.

Beyond pharmaceuticals, 4-butylcyclohexane-1-carboxylic acid finds applications in material science and industrial chemistry. Its unique properties make it useful in formulating specialty polymers, lubricants, and coatings. The compound’s ability to enhance thermal stability and mechanical strength in polymers has been explored in developing high-performance materials for automotive and aerospace industries. Moreover, its role as an intermediate in synthesizing fine chemicals has been recognized by manufacturers seeking cost-effective solutions for complex organic transformations.

Recent advancements in computational chemistry have further highlighted the significance of 4-butylcyclohexane-1-carboxylic acid. Molecular modeling studies have provided insights into its interactions with biological targets, aiding in the rational design of more effective derivatives. These studies have revealed that subtle modifications to the butyl group or the carboxylic acid moiety can significantly alter binding affinities and pharmacokinetic profiles. Such findings underscore the importance of precision in molecular design and highlight the compound’s potential as a scaffold for drug discovery.

The synthesis of 4-butylcyclohexane-1-carboxylic acid itself is another area of active research. Traditional synthetic routes involve multi-step processes that can be inefficient or produce byproducts that complicate purification. However, recent innovations in catalytic methods have enabled more streamlined syntheses with higher yields and improved selectivity. These advancements not only make the compound more accessible but also open new avenues for exploring its derivatives through greener chemistry approaches.

In conclusion,4-butylcyclohexane-1-carboxylic acid (CAS No. 71101-89-8) is a multifaceted compound with broad applications across pharmaceuticals, materials science, and industrial chemistry. Its unique structural features make it a valuable intermediate for synthesizing biologically active molecules and high-performance materials. As research continues to uncover new uses for this compound,4-butylcyclohexane-1-carboxylic acid is poised to remain a cornerstone of innovation in multiple scientific disciplines.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:71101-89-8)4-butylcyclohexane-1-carboxylic acid
A866493
Purity:99%
Quantity:25g
Price ($):380.0
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