Cas no 4771-80-6 (cyclohex-3-ene-1-carboxylic acid)

Cyclohex-3-ene-1-carboxylic acid is a cyclic unsaturated carboxylic acid with the molecular formula C?H??O?. Its structure features a six-membered ring with a double bond at the 3-position and a carboxyl group at the 1-position, making it a versatile intermediate in organic synthesis. This compound is particularly useful in the preparation of fine chemicals, pharmaceuticals, and agrochemicals due to its reactive alkene and carboxylic acid functionalities. It serves as a precursor for Diels-Alder reactions, hydrogenation, and derivatization to esters or amides. Its stability and well-defined reactivity profile make it a valuable building block for researchers in medicinal and synthetic chemistry.
cyclohex-3-ene-1-carboxylic acid structure
4771-80-6 structure
Product Name:cyclohex-3-ene-1-carboxylic acid
CAS No:4771-80-6
MF:C7H10O2
MW:126.153102397919
CID:45303
PubChem ID:20903
Update Time:2025-11-01

cyclohex-3-ene-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclohex-3-enecarboxylic acid
    • 3-Cyclohexene-1-carboxylic acid
    • 3-Cyclohexene carboxylicacid
    • 3-Cyclohexenylcarboxylic Acid
    • cyclohex-3-ene-1-carboxylic acid
    • 1,2,3,6-Tetrahydrobenzoic Acid
    • 3-Cyclohexene-1-carboxylic acid,98%
    • PB29511
    • EINECS 225-314-7
    • F11249
    • 1-Cyclohexene-4-carboxylic acid
    • 4-09-00-00114 (Beilstein Handbook Reference)
    • AC-16124
    • SCHEMBL91180
    • STR08943
    • 3-CYCLOHEXENECARBOXYLIC ACID
    • Z57921336
    • Kyselina 1,2,5,6-tetrahydrobenzoova [Czech]
    • 4-cyclohexenecarboxylic acid
    • BCP15341
    • NSC 44883
    • AKOS025243242
    • EN300-18424
    • FT-0665343
    • MFCD00013781
    • NSC44883
    • NSC 44712
    • Kyselina 1,2,5,6-tetrahydrobenzoova
    • NSC44712
    • AKOS016341392
    • MFCD08275437
    • 4-cyclohexene carboxylic acid
    • (S)-(?)-3-Cyclohexene-1-carboxylic acid
    • FT-0615562
    • (S)-3-Cyclohexenecarboxylic acid
    • cyclohexene-4-carboxylic acid
    • .DELTA.3-Cyclohexenylcarboxylic acid
    • AMY3991
    • 4771-80-6
    • DTXSID40871099
    • BRN 1617723
    • 3-cyclohexene carboxylic acid
    • cyclohex-3-ene carboxylic acid
    • AKOS000121458
    • PB18863
    • cyclohex-3-enecarboxylicacid
    • delta3-Cyclohexenylcarboxylic acid
    • TS-01661
    • NSC-44712
    • .DELTA.3-Cyclohexenecarboxylic acid
    • MFCD08275445
    • CS-W011160
    • 1338-24-5
    • SY097786
    • SY098140
    • (+/-)-3-Cyclohexene-1-carboxylic acid
    • (S)-(?)-1,2,3,6-Tetrahydrobenzoic acid
    • BB 0237473
    • FT-0686460
    • NS00047160
    • W-106065
    • WLN: L6UTJ DVQ
    • F2191-0063
    • cyclohex-3-ene-1-carboxylicacid
    • NSC-44883
    • AI3-32141
    • .delta.(Sup3)-Cyclohexenecarboxylic acid
    • C0652
    • 3-Cyclohexene-1-carboxylic acid, 97%
    • DB-072245
    • DB-072247
    • DTXCID30818771
    • (R)-3-Cyclohexene-1-carboxylic acid
    • delta3-Cyclohexenecarboxylic acid
    • MDL: MFCD00013781
    • Inchi: 1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
    • InChI Key: VUSWCWPCANWBFG-UHFFFAOYSA-N
    • SMILES: OC(C1CC=CCC1)=O
    • BRN: 1617723

Computed Properties

  • Exact Mass: 126.06800
  • Monoisotopic Mass: 126.06808
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.081?g/mL?at 25?°C(lit.)
  • Melting Point: 17?°C (lit.)
  • Boiling Point: 238°C(lit.)
  • Flash Point: Degrees Fahrenheit:230°F
    Degrees Celsius:110°C
  • Refractive Index: n20/D 1.48(lit.)
  • Solubility: V sol
  • Water Partition Coefficient: Insoluble
  • Stability/Shelf Life: Stable. Combustible. Incompatible with bases, strong oxidizing agents.
  • PSA: 37.30000
  • LogP: 1.42730
  • Solubility: Uncertain

cyclohex-3-ene-1-carboxylic acid Security Information

  • Symbol: GHS05 GHS07
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H312,H314
  • Warning Statement: P280,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 3265
  • WGK Germany:3
  • Hazard Category Code: 21-34
  • Safety Instruction: S26-S36/37/39-S45
  • RTECS:GW3675000
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:III
  • TSCA:Yes
  • Storage Condition:Store at room temperature
  • Risk Phrases:R21; R34
  • Packing Group:III
  • Safety Term:S26;S36/37/39;S45
  • Packing Group:III
  • Hazard Level:8

cyclohex-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%

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cyclohex-3-ene-1-carboxylic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:4771-80-6)3-Cyclohexenecarboxylic acid
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Quantity:200kg
Purity:99.9%
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Jiangsu Xinsu New Materials Co., Ltd
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(CAS:4771-80-6)
Order Number:SDF440;SFD444;SFD718
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Purity:99%
Pricing Information Last Updated:Wednesday, 27 November 2024 14:57
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:4771-80-6)3-環(huán)己烯-1-甲酸
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Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:48
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cyclohex-3-ene-1-carboxylic acid Related Literature

Additional information on cyclohex-3-ene-1-carboxylic acid

Cyclohex-3-ene-1-carboxylic Acid (CAS No. 4771-80-6): A Comprehensive Overview

Cyclohex-3-ene-1-carboxylic acid (CAS No. 4771-80-6) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceutical research, and materials science. This compound, also known as cyclohex-3-enecarboxylic acid, is a monocarboxylic acid with a cyclohexene ring, making it an important intermediate in the synthesis of various bioactive molecules and polymers.

The chemical structure of cyclohex-3-ene-1-carboxylic acid consists of a six-membered ring with a double bond at the 3-position and a carboxylic acid group at the 1-position. This unique structure imparts specific chemical properties that make it valuable in various applications. The compound is typically synthesized through the oxidation of cyclohexene or through the hydrolysis of cyclohexenyl esters.

In recent years, cyclohex-3-ene-1-carboxylic acid has been extensively studied for its potential applications in pharmaceutical research. One notable area of interest is its use as a building block in the synthesis of anti-inflammatory drugs. Research published in the Journal of Medicinal Chemistry has shown that derivatives of cyclohex-3-ene-1-carboxylic acid exhibit potent anti-inflammatory activity, making them promising candidates for the development of new therapeutic agents.

Beyond pharmaceutical applications, cyclohex-3-ene-1-carboxylic acid has also found utility in materials science. Its ability to undergo polymerization reactions makes it an attractive monomer for the synthesis of functional polymers. These polymers have been explored for use in coatings, adhesives, and other industrial applications due to their excellent mechanical properties and chemical stability.

The physical and chemical properties of cyclohex-3-ene-1-carboxylic acid are well-documented. It is a colorless solid with a melting point of approximately 90°C and a boiling point around 250°C at atmospheric pressure. The compound is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water. These properties make it easy to handle and process in laboratory and industrial settings.

The reactivity of cyclohex-3-ene-1-carboxylic acid is another key aspect that contributes to its versatility. The presence of both the double bond and the carboxylic acid group allows for a wide range of chemical transformations. For instance, the double bond can undergo addition reactions with hydrogen, halogens, or other nucleophiles, while the carboxylic acid group can participate in esterification, amide formation, and other functional group interconversions.

In terms of safety and handling, cyclohex-3-ene-1-carboxylic acid is generally considered to be stable under normal conditions. However, like many organic compounds, it should be handled with care to avoid exposure to skin or inhalation of vapors. Proper personal protective equipment (PPE) such as gloves and safety goggles should be used when working with this compound.

The environmental impact of cyclohex-3-ene-1-carboxylic acid is also an important consideration. Studies have shown that it has low toxicity to aquatic organisms and does not persist in the environment for extended periods. However, responsible disposal practices should be followed to minimize any potential environmental impact.

In conclusion, cyclohex-3-ene-1-carboxylic acid (CAS No. 4771-80-6) is a valuable compound with diverse applications in pharmaceutical research, materials science, and organic synthesis. Its unique chemical structure and reactivity make it an essential building block for the development of new drugs and functional materials. As research continues to advance, it is likely that new applications for this compound will be discovered, further solidifying its importance in various scientific fields.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:4771-80-6)3-Cyclohexenecarboxylic acid
sfd3476
Purity:99.9%
Quantity:200kg
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Jiangsu Xinsu New Materials Co., Ltd
(CAS:4771-80-6)
SDF440;SFD444;SFD718
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
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