Cas no 13894-61-6 (3-Hexenoic acid, methyl ester)
3-Hexenoic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexenoic acid, methylester, (3E)-
- Methyl (3E)-3-hexenoate
- methyl (E)-hex-3-enoate
- Methyl (E)-3-hexenoate
- Methyl trans-3-hexenoate
- Einecs 237-662-7
- (E)-3-Hexenoic acid methyl ester
- 3-Hexenoic acid, methyl ester, (E)-
- METHYL 3-HEXENOATE
- 3-Hexenoic acid, methyl ester
- Honeyflor
- Methyl hex-3-enoate
- Methyl Trans 3 Hexenoate
- 7IP0T834PB
- XEAIHUDTEINXFG-SNAWJCMRSA-N
- Methyl hydrosorbate
- 3-Hexenoic acid, methyl ester, (3E)-
- FEMA No. 3364
- Methyl 3-hexenoate, (3E)-
- (E
- MFCD00672771
- METHYL (3E)-HEX-3-ENOATE
- UNII-5B8F9YC2ZN
- AKOS015951109
- FEMA NO. 3364, E-
- A878081
- UNII-7IP0T834PB
- SCHEMBL872827
- EINECS 219-256-1
- (E)-hex-3-enoic acid methyl ester
- 13894-61-6
- 5B8F9YC2ZN
- 2396-78-3
- (E)-methyl hex-3-enoate
- Methyl trans-3-hexenoate, >=97%, FG
- Q27268358
- D93382
- DTXSID20884723
- (3E)-methyl 3-hexenoate
- XEAIHUDTEINXFG-UHFFFAOYSA-N
- NS00085190
- Methyl(E)-hex-3-enoate
- SCHEMBL872828
- DB-255154
-
- MDL: MFCD00672771
- Inchi: 1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+
- InChI Key: XEAIHUDTEINXFG-SNAWJCMRSA-N
- SMILES: O(C)C(C/C=C/CC)=O
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 1.5
Experimental Properties
- PSA: 26.3
3-Hexenoic acid, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | D755283-1g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 1g |
$135 | 2024-06-06 | |
| eNovation Chemicals LLC | D755283-5g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 5g |
$260 | 2024-06-06 | |
| Aaron | AR00AK9Y-1g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 1g |
$87.00 | 2025-02-10 | |
| Aaron | AR00AK9Y-5g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 5g |
$260.00 | 2025-02-10 | |
| 1PlusChem | 1P00AK1M-1g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 1g |
$122.00 | 2024-06-21 | |
| 1PlusChem | 1P00AK1M-5g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 5g |
$276.00 | 2024-06-21 | |
| A2B Chem LLC | AE91738-1g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 1g |
$107.00 | 2024-04-20 | |
| A2B Chem LLC | AE91738-5g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 5g |
$299.00 | 2024-04-20 | |
| eNovation Chemicals LLC | D755283-1g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 1g |
$135 | 2025-02-27 | |
| eNovation Chemicals LLC | D755283-5g |
methyl (E)-hex-3-enoate |
13894-61-6 | 95% | 5g |
$260 | 2025-02-27 |
3-Hexenoic acid, methyl ester Related Literature
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S. Tolborg,S. Meier,I. Sádaba,S. G. Elliot,S. K. Kristensen,S. Saravanamurugan,A. Riisager,P. Fristrup,T. Skrydstrup,E. Taarning Green Chem. 2016 18 3360
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S. G. Elliot,C. Andersen,S. Tolborg,S. Meier,I. Sádaba,A. E. Daugaard,E. Taarning RSC Adv. 2017 7 985
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R. De Clercq,M. Dusselier,B. F. Sels Green Chem. 2017 19 5012
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Julio Rodríguez-López,Nuria Ortega,Victor S. Martín,Tomás Martín Chem. Commun. 2014 50 3685
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Shunmugavel Saravanamurugan,Irene Tosi,Kristoffer H. Rasmussen,Rasmus E. Jensen,Esben Taarning,Sebastian Meier,Anders Riisager Catal. Sci. Technol. 2017 7 2782
Additional information on 3-Hexenoic acid, methyl ester
3-Hexenoic acid, methyl ester (CAS No. 13894-61-6): A Comprehensive Overview
3-Hexenoic acid, methyl ester, with the chemical identifier CAS No. 13894-61-6, is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This compound, also known as methyl hex-2-enoate, belongs to the class of carboxylic acid esters and has garnered attention due to its unique structural properties and potential applications in various scientific domains.
The molecular structure of 3-Hexenoic acid, methyl ester consists of a hexanoic acid backbone with a double bond at the third carbon position, making it a derivative of hexanoic acid. The presence of this double bond introduces a degree of unsaturation, which influences its reactivity and interaction with other molecules. This feature has made it a subject of extensive study in synthetic chemistry and biochemistry.
In recent years, research on 3-Hexenoic acid, methyl ester has been particularly focused on its role as an intermediate in the synthesis of more complex organic molecules. Its ability to undergo various chemical reactions, such as esterification, hydrogenation, and oxidation, makes it a valuable building block in the pharmaceutical industry. For instance, it has been utilized in the synthesis of certain drug candidates that exhibit promising biological activities.
The compound's applications extend beyond pharmaceuticals into the realm of flavor and fragrance chemistry. The characteristic aroma of 3-Hexenoic acid, methyl ester is reminiscent of fruity notes, making it a popular choice in the formulation of perfumes and food additives. This dual functionality as both a pharmaceutical intermediate and a flavoring agent underscores its versatility and industrial relevance.
Recent studies have also explored the potential biological activities of 3-Hexenoic acid, methyl ester. Research indicates that this compound may possess antimicrobial properties, which could be harnessed in the development of novel antimicrobial agents. Additionally, its structural motif suggests potential interactions with biological targets such as enzymes and receptors, opening avenues for further investigation into its pharmacological effects.
The synthesis of 3-Hexenoic acid, methyl ester can be achieved through various methods, including the esterification of hexanoic acid or the reaction of hexanal with methanol under acidic conditions. Advances in synthetic methodologies have enabled more efficient and scalable production processes, facilitating its use in both academic research and industrial applications.
In conclusion, 3-Hexenoic acid, methyl ester (CAS No. 13894-61-6) is a multifaceted compound with significant implications in organic synthesis, pharmaceutical development, and flavor chemistry. Its unique structural features and diverse applications make it a compound of considerable interest to researchers and industry professionals alike. As scientific understanding continues to evolve, further exploration into the potential uses and benefits of this compound is anticipated to yield novel discoveries and innovations.
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