Cas no 2955-62-6 (Methyl 4-oxohexanoate)
Methyl 4-oxohexanoate is a versatile ester compound characterized by its ketone and ester functional groups, making it valuable in organic synthesis and pharmaceutical applications. Its molecular structure (C7H12O3) provides reactivity for use as an intermediate in the production of fine chemicals, fragrances, and active pharmaceutical ingredients (APIs). The compound's balanced polarity and stability under standard conditions facilitate controlled reactions, such as condensation or reduction processes. Its liquid state at room temperature ensures ease of handling in laboratory and industrial settings. Methyl 4-oxohexanoate is particularly noted for its role in synthesizing gamma-lactones and other cyclic compounds, offering reliable performance in multi-step synthetic routes.
Methyl 4-oxohexanoate structure
Product Name:Methyl 4-oxohexanoate
CAS No:2955-62-6
MF:C7H12O3
MW:144.168382644653
MDL:MFCD00069010
CID:1438763
PubChem ID:546293
Update Time:2025-05-19
Methyl 4-oxohexanoate Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 4-oxo-, methyl ester
- methyl 4-oxohexanoate
- FOGHPENQGFYWSI-UHFFFAOYSA-N
- Methyl homolevulinate
- methyl 4-oxo-hexanoate
- 4-oxo-hexanoic acid methyl ester
- D92982
- AKOS010909587
- SY270772
- DTXSID70338089
- 2955-62-6
- DA-19978
- AS-62083
- AMY30255
- MFCD00069010
- CAA95562
- SCHEMBL765093
- Methyl 4-oxohexanoate
-
- MDL： MFCD00069010
- Inchi： 1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3
- InChI Key： FOGHPENQGFYWSI-UHFFFAOYSA-N
- SMILES： O(C)C(CCC(CC)=O)=O
Computed Properties
- Exact Mass: 144.07866
- Monoisotopic Mass: 144.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 129
- 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
- XLogP3: 0.3
- Topological Polar Surface Area: 43.4
Experimental Properties
- PSA: 43.37
Methyl 4-oxohexanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M908377-5g |
Methyl 4-Oxohexanoate |
2955-62-6 | 95% | 5g |
￥3,180.00 | 2022-01-10 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X93765-250mg |
Methyl 4-Oxohexanoate |
2955-62-6 | 95% | 250mg |
￥198.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X93765-1g |
Methyl 4-Oxohexanoate |
2955-62-6 | 1g |
￥678.0 | 2021-09-07 | ||
| eNovation Chemicals LLC | Y1193167-1g |
Methyl 4-Oxohexanoate |
2955-62-6 | 95% | 1g |
$450 | 2023-09-03 | |
| eNovation Chemicals LLC | Y1193167-5g |
Methyl 4-Oxohexanoate |
2955-62-6 | 95% | 5g |
$1380 | 2023-09-03 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M908377-250mg |
Methyl 4-Oxohexanoate |
2955-62-6 | 95% | 250mg |
￥242.00 | 2022-01-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M908377-1g |
Methyl 4-Oxohexanoate |
2955-62-6 | 95% | 1g |
￥796.00 | 2022-01-10 | |
| eNovation Chemicals LLC | D758157-1g |
Hexanoic acid, 4-oxo-, methyl ester |
2955-62-6 | 95% | 1g |
$135 | 2024-06-07 | |
| eNovation Chemicals LLC | D758157-5g |
Hexanoic acid, 4-oxo-, methyl ester |
2955-62-6 | 95% | 5g |
$330 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1224104-5g |
Methyl 4-oxohexanoate |
2955-62-6 | 95% | 5g |
$450 | 2024-06-03 |
Methyl 4-oxohexanoate Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
2955-62-6 (Methyl 4-oxohexanoate) Related Products
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- 30414-53-0(Methyl 3-oxopentanoate)
- 30414-54-1(Methyl 3-oxohexanoate)
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