2-Undecanone

• CAS: 112-12-9
• Catalog Number: ACM112129
• Category: Other Products
• Molecular Weight: 170.29
• Molecular Formula: C11H22O
• Synonyms: Methyl nonyl ketone
• IUPAC Name: Undecan-2-one
• SMILES: CCCCCCCCCC(=O)C
• InChI: InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
• InChI Key: KYWIYKKSMDLRDC-UHFFFAOYSA-N
• Boiling Point: 231-232 °C(lit.)
• Melting Point: 11-13 °C(lit.)
• Flash Point: 192 °F
• Density: 0.825 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water
• Appearance: Clear colorless to light yellow liquid
• Storage: Store below +30 °C
• Complexity: 108
• Defined Atom Stereocenter Count: 0
• Exact Mass: 170.167065321
• Formal Charge: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 170.167065321
• Physical State: Liquid
• Refractive Index: n20/D 1.43(lit.)
• Rotatable Bond Count: 8
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 17.1 Ų
• XLogP3-AA: 4.1

Synthetic Use

Upstream Synthesis Route 1

• 1653-30-1

• 112-12-9

Reference: [1]Journal of Organic Chemistry,1990,vol. 55,p. 462 - 466

Downstream Synthesis Route 1

• 112-12-9

• 16627-56-8
• 1653-30-1

Reference: [1]Houben
[Chemische Berichte, 1902, vol. 35, p. 3591]

Downstream Synthesis Route 2

• 112-12-9

• 1653-30-1

Reference: [1]Angewandte Chemie - International Edition,1998,vol. 37,p. 2347 - 2349

* For details of the synthesis route, please refer to the original source to ensure accuracy.