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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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M103677-5ml
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5ml |
5
|
$21.90
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| Synonyms | EINECS 209-264-3 | FT-0659813 | Isobutyl-1-methyl ketone | 3-METHYL-2-BUTANONE | 3-Methyl-2-butanone, analytical standard | 3-methyl-butan-2-one | 3-Methylbutan-2-one | iso-C3H7COCH3 | METHYL-2-BUTANONE, 3- | CHEBI:179699 | NCGC00249104-01 | 2-Acetyl prop |
|---|---|
| Specifications & Purity | Standard for GC, ≥99.5%(GC) |
| Shipped In | Normal |
| Grade | Standard for GC |
| Product Description |
3-Methyl-2-butanone (Methyl isopropyl ketone, MIPK, isopropyl methyl ketone), an aliphatic ketone, is a volatile organic compound. Photodegradation of MIPK in gas-phase has been reported. Asymmetric hydrogenation of MIPK with high enantioselectivity in the presence of Rh-PennPhos (rhodium-P,P′-1,2-phenylenebis(endo-2,5-dialkyl-7-phosphabicyclo[2.2.1]heptane) complex has been reported. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. |
| External Descriptors | a ketone |
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| IUPAC Name | 3-methylbutan-2-one |
|---|---|
| INCHI | InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3 |
| InChIKey | SYBYTAAJFKOIEJ-UHFFFAOYSA-N |
| Smiles | CC(C)C(=O)C |
| Isomeric SMILES | CC(C)C(=O)C |
| WGK Germany | 1 |
| RTECS | EL9100000 |
| UN Number | 2397 |
| Packing Group | II |
| Molecular Weight | 86.13 |
| Beilstein | 1071238 |
| Reaxy-Rn | 1071238 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071238&ln= |
| Solubility | Soluble in most organic solvents. |
|---|---|
| Refractive Index | 1.3887 |
| Flash Point(°F) | -3 °C |
| Flash Point(°C) | -3°C |
| Boil Point(°C) | 94-95°C |
| Melt Point(°C) | -92°C |
| Molecular Weight | 86.130 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 86.0732 Da |
| Monoisotopic Mass | 86.0732 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 55.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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| 11. Xiao‑Guang Yang, Yan‑Yu Li, Dong‑Xue Zhao, Wei Cui, Han Li, Xin‑Yu Li, Yu‑Xin Li, Dun Wang. (2021) Repurposing of a monoamine oxidase A inhibitor‑heptamethine carbocyanine dye conjugate for paclitaxel‑resistant non‑small cell lung cancer. ONCOLOGY REPORTS, 45 (3): (1306-1314). |
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| 15. Liyi Fu, Pan Yuan, Zheng Ruan, Le Liu, Tuanwei Li, Lifeng Yan. (2017) Ultra-pH-sensitive polypeptide micelles with large fluorescence off/on ratio in near infrared range. Polymer Chemistry, 8 (6): (1028-1038). |