Cas no 27970-79-2 (3-Pentanone,1-hydroxy-2-methyl-)
3-Pentanone,1-hydroxy-2-methyl- is a ketone-alcohol compound with a molecular structure that combines both hydroxyl and carbonyl functional groups. This bifunctional nature enhances its reactivity, making it a versatile intermediate in organic synthesis, particularly for producing fine chemicals and pharmaceuticals. The presence of the hydroxyl group at the 1-position and the methyl group at the 2-position influences its stereochemistry and solubility, allowing for selective transformations. Its balanced polarity facilitates use in both aqueous and organic phases, improving process flexibility. The compound’s stability under mild conditions ensures reliable performance in reactions such as reductions, oxidations, and condensations.
27970-79-2 structure
Product Name:3-Pentanone,1-hydroxy-2-methyl-
CAS No:27970-79-2
MF:C6H12O2
MW:116.158282279968
CID:285249
PubChem ID:161588
Update Time:2025-05-28
3-Pentanone,1-hydroxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentanone,1-hydroxy-2-methyl-
- 1-hydroxy-2-methylpentan-3-one
- 2-(Hydroxymethyl)-3-pentanone
- 1-hydroxy-2-methyl-3-pentanone
- DTXSID0029341
- SCHEMBL637645
- UNII-A025WL3PC2
- 2-methyl-1-oxidanyl-pentan-3-one
- EC 939-893-5
- Q27273445
- A821891
- EN300-4414482
- 3-Pentanone, 1-hydroxy-2-methyl-
- NS00028396
- J592.303D
- A025WL3PC2
- hydroxy-2-methyl-pentanone
- 27970-79-2
-
- Inchi： 1S/C6H12O2/c1-3-6(8)5(2)4-7/h5,7H,3-4H2,1-2H3
- InChI Key： JYEMLYGXHDIVRA-UHFFFAOYSA-N
- SMILES： OCC(C)C(CC)=O
Computed Properties
- Exact Mass: 116.08376
- Monoisotopic Mass: 116.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 78.6
- 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
- XLogP3: 0.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Pentanone,1-hydroxy-2-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-4414482-0.05g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 0.05g |
$226.0 | 2023-05-29 | |
| Enamine | EN300-4414482-0.1g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 0.1g |
$337.0 | 2023-05-29 | |
| Enamine | EN300-4414482-0.25g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 0.25g |
$481.0 | 2023-05-29 | |
| Enamine | EN300-4414482-0.5g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 0.5g |
$758.0 | 2023-05-29 | |
| Enamine | EN300-4414482-1.0g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 1g |
$971.0 | 2023-05-29 | |
| Enamine | EN300-4414482-2.5g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 2.5g |
$1903.0 | 2023-05-29 | |
| Enamine | EN300-4414482-5.0g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 5g |
$2816.0 | 2023-05-29 | |
| Enamine | EN300-4414482-10.0g |
1-hydroxy-2-methylpentan-3-one |
27970-79-2 | 95% | 10g |
$4176.0 | 2023-05-29 | |
| Aaron | AR01HOXK-50mg |
3-Pentanone,1-hydroxy-2-methyl- |
27970-79-2 | 95% | 50mg |
$336.00 | 2025-02-14 | |
| Aaron | AR01HOXK-100mg |
3-Pentanone,1-hydroxy-2-methyl- |
27970-79-2 | 95% | 100mg |
$489.00 | 2025-02-14 |
3-Pentanone,1-hydroxy-2-methyl- Related Literature
-
Matthew Neurock,Zhiyuan Tao,Ashwin Chemburkar,David D. Hibbitts,Enrique Iglesia Faraday Discuss. 2017 197 59
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