Cas no 28163-84-0 (3-Heptenoicacid, (3E)-)

3-Heptenoic acid, (3E)-, is an unsaturated carboxylic acid characterized by a seven-carbon chain with a trans double bond at the third position. This compound is of interest in organic synthesis and industrial applications due to its reactive carboxyl group and conjugated alkene functionality. Its structural features make it a versatile intermediate for producing fine chemicals, pharmaceuticals, and specialty polymers. The (3E)-configuration ensures consistent reactivity in cross-coupling and addition reactions, while its moderate chain length balances solubility and lipophilicity. High purity grades are available to meet rigorous research and manufacturing standards, ensuring reproducibility in synthetic processes. Proper handling under inert conditions is recommended to preserve its stability.
3-Heptenoicacid, (3E)- structure
3-Heptenoicacid, (3E)- structure
Product Name:3-Heptenoicacid, (3E)-
CAS No:28163-84-0
MF:C7H12O2
MW:128.168982505798
CID:291465
PubChem ID:5282710
Update Time:2025-10-29

3-Heptenoicacid, (3E)- Chemical and Physical Properties

Names and Identifiers

    • 3-Heptenoicacid, (3E)-
    • (E)-hept-3-enoic acid
    • (3E)-hept-3-enoic acid
    • EINECS 248-876-5
    • (E)-3-Heptenoic acid
    • NS00049955
    • 3-HEPTENOICACID
    • HY-W127443
    • SCHEMBL1564477
    • SCHEMBL841088
    • 3-HEPTENOIC ACID
    • BCYXFRMDZWKZSF-SNAWJCMRSA-N
    • DTXSID301314813
    • H0427
    • C7:1n-4
    • J-017684
    • 3-Heptenoic acid, AldrichCPR
    • beta-heptenoic acid
    • AKOS006223740
    • CHEBI:179468
    • (3E)-3-Heptenoic acid
    • (3E)-3-Heptenoic acid #
    • 28163-84-0
    • CS-0185675
    • LMFA01030013
    • 29901-85-7
    • MFCD00058999
    • MDL: MFCD00058999
    • Inchi: 1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
    • InChI Key: BCYXFRMDZWKZSF-SNAWJCMRSA-N
    • SMILES: OC(C/C=C/CCC)=O

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

3-Heptenoicacid, (3E)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
CDS000348-500MG
3-Heptenoic acid
28163-84-0
500mg
¥952.83 2023-11-10

3-Heptenoicacid, (3E)- Related Literature

Additional information on 3-Heptenoicacid, (3E)-

Properties and Applications of 3-Heptenoic acid, (3E)- (CAS No. 28163-84-0)

3-Heptenoic acid, (3E)-, with the CAS number 28163-84-0, is a significant compound in the field of organic chemistry and biochemistry. This linear unsaturated carboxylic acid belongs to the family of enoic acids, characterized by the presence of a double bond in its aliphatic chain. The (3E) configuration indicates the spatial arrangement of the double bond, which influences its chemical reactivity and biological interactions.

The molecular formula of 3-Heptenoic acid, (3E)- is C?H??O?, reflecting its structure as a heptane derivative with a carboxylic acid group and a trans-alkene moiety. This compound exhibits a pungent odor and is soluble in organic solvents such as ethanol, acetone, and dichloromethane, making it suitable for various chemical synthesis applications.

Recent research in the field of bioactive compounds has highlighted the potential of unsaturated carboxylic acids like 3-Heptenoic acid, (3E)- in drug development and pharmacological studies. The double bond in its structure not only allows for diverse chemical modifications but also enables interactions with biological targets that saturated counterparts may lack.

One of the most intriguing aspects of 3-Heptenoic acid, (3E)- is its role as a precursor in synthesizing more complex molecules. For instance, it can be used to produce esters, amides, and other derivatives that exhibit pharmacological activity. These derivatives have been investigated for their potential in treating various conditions, including inflammation and bacterial infections.

In vitro studies have demonstrated that compounds derived from 3-Heptenoic acid, (3E)- can modulate enzymatic pathways involved in cellular signaling. Specifically, researchers have observed that certain derivatives exhibit inhibitory effects on enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in the inflammatory response.

The structural flexibility of 3-Heptenoic acid, (3E)- also makes it a valuable intermediate in the synthesis of natural products. For example, it can be incorporated into terpenoid backbones found in essential oils and plant extracts. These natural products have long been used in traditional medicine and continue to be explored for their therapeutic properties.

Advances in synthetic chemistry have enabled more efficient production methods for 3-Heptenoic acid, (3E)-, making it more accessible for research purposes. Techniques such as catalytic hydrogenation and metathesis reactions allow for precise control over the double bond configuration, ensuring high yields of the desired enantiomer.

The compound's utility extends beyond pharmaceutical applications. In agrochemical research, derivatives of 3-Heptenoic acid, (3E)- have been investigated for their potential as plant growth regulators or pest deterrents. Their ability to interact with biological systems at low concentrations makes them promising candidates for sustainable agriculture practices.

Environmental science has also benefited from the study of 3-Heptenoic acid, (3E)-. Researchers are exploring its degradation pathways and interactions with microbial communities to better understand how organic compounds influence ecosystems. This knowledge is crucial for developing environmentally friendly alternatives to synthetic chemicals.

The safety profile of 3-Heptenoic acid, (3E)- is another area of interest. While it is not classified as a hazardous substance under current regulations, proper handling procedures must be followed to prevent exposure-related health issues. Studies on its toxicity have shown that it is relatively low acute toxicity but may cause skin or eye irritation upon direct contact.

Future research directions for 3-Heptenoic acid, (3E)- include exploring its role in nanotechnology applications. The compound's ability to form stable complexes with nanoparticles could lead to novel drug delivery systems or catalysts with enhanced performance.

In conclusion, 3-Heptenoic acid, (3E)- (CAS No. 28163-84-0) is a versatile compound with significant implications across multiple scientific disciplines. Its unique chemical properties and biological activities make it a valuable tool for researchers in pharmaceuticals, agriculture, and environmental science. As synthetic methods continue to improve and new applications emerge, this compound will undoubtedly play an increasingly important role in scientific innovation.

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