113486-29-6 | 3-Methylnonane-2,4-dione

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$83.00	$58.00
1g	95%	in stock	$89.00	$62.00
5g	95%	in stock	$209.00	$147.00
10g	95%	in stock	$297.00	$208.00
25g	95%	in stock	$518.00	$362.00

Description

• Catalog Number: AA11148
• Chemical Name: 3-Methylnonane-2,4-dione
• CAS Number: 113486-29-6
• Molecular Formula: C10H18O2
• Molecular Weight: 170.2487
• MDL Number: MFCD08741451
• SMILES: CCCCCC(=O)C(C(=O)C)C

Computed Properties

• Complexity: 161
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Undefined Atom Stereocenter Count: 1
• XLogP3: 2.3

Upstream Synthesis Route

3-Methylnonane-2,4-dione, also known as 3-Methyl-2-nonanone or isobutyrylacetone, is a versatile compound widely used in chemical synthesis. Its unique structure and properties make it a valuable building block in organic chemistry. One of the key applications of 3-Methylnonane-2,4-dione is as a precursor in the synthesis of various pharmaceuticals. Its ketonic functionality allows for easy functional group transformations, making it an ideal starting material for the synthesis of complex drug molecules. Additionally, its branched alkyl chain provides flexibility in designing and fine-tuning the pharmacological properties of the final compounds.In the field of fragrance and flavor chemistry, 3-Methylnonane-2,4-dione plays a crucial role in the synthesis of artificial flavors and fragrances. Its distinctive odor profile contributes to the creation of unique and appealing scent compositions. By incorporating this compound into fragrance formulations, perfumers can achieve complex and long-lasting olfactory experiences.Furthermore, 3-Methylnonane-2,4-dione is employed in the production of specialty chemicals and agrochemicals. Its reactivity allows for the selective introduction of functional groups, enabling the synthesis of custom-made chemical intermediates. This versatility makes it an indispensable tool for chemists working in various industries, from pharmaceuticals to agrochemicals.Overall, 3-Methylnonane-2,4-dione's role in chemical synthesis is diverse and significant, making it a valuable asset in the hands of synthetic chemists seeking to create novel compounds with tailored properties and functionalities.

Literature

• Determination of 3-methyl-2,4-nonanedione in red wines using methanol chemical ionization ion trap mass spectrometry.

  Journal of chromatography. A 20110928

• Identification of volatile compounds responsible for prune aroma in prematurely aged red wines.

  Journal of agricultural and food chemistry 20080709

• New constituents related to 3-methyl-2,4-nonanedione identified in green tea.

  Journal of agricultural and food chemistry 20061129

• Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles.

  Journal of agricultural and food chemistry 20031217

• Aroma compounds formed from 3-methyl-2,4-nonanedione under photooxidative conditions.

  Journal of agricultural and food chemistry 20030521

• Identification of potent odorants in different green tea varieties using flavor dilution technique.

  Journal of agricultural and food chemistry 20020925

• Practical synthesis of 3-methylnonane-2,4-dione, an intense strawlike and fruity flavored compound.

  Journal of agricultural and food chemistry 20010801