Undecanoic Acid

• CAS: 112-37-8
• Catalog Number: ACM112378
• Category: Inhibitors
• Molecular Weight: 186.29
• Molecular Formula: C11H22O2
• Description: Undecanoic acid is a white crystalline solid. Insoluble in water. Specific gravity 0.85. Hence floats on water.;Solid;Solid;colourless crystals/ faint fatty, aldehydic odour
• Synonyms: Hendecanoic Acid
• IUPAC Name: undecanoic acid
• SMILES: CCCCCCCCCCC(=O)O
• InChI: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
• InChI Key: ZDPHROOEEOARMN-UHFFFAOYSA-N
• Boiling Point: 248-250 °C (lit.)
• Melting Point: 28-31°C
• Flash Point: 128.2°C
• Density: 0.909 g/cm³
• Solubility: 2.80e-04 M;0.0522 mg/mL at 30 °C;0.0522 mg/mL;Insoluble in water; very soluble in alcohol, chloroform, acetone
• Appearance: Colourless to light yellow liquid or solid
• Storage: Room temperature
• Assay: 0.98
• CNo Chain: C11:0
• Complexity: 121
• Compound Derivative: Acid
• Covalently-Bonded Unit Count: 1
• EC Number: 203-964-2
• Exact Mass: 186.16198g/mol
• Fatty Acid: Undecanoic; (Hendecanoic)
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 13
• LogP: 4.42 (LogP);4.42;4.42
• Monoisotopic Mass: 186.16198g/mol
• NSC Number: 7885
• Packaging: 100 g
• Physical State: Solid
• Refractive Index: 1.418 (70°C)
• Rotatable Bond Count: 9
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: 2-8°C
• UNII: 138ON3IIQG
• Vapor Pressure: 0.00 mmHg
• XLogP3: 3.7

Synthetic Use

Upstream Synthesis Route 1

• 1002-69-3

• 112-37-8

Reference: [1]Morton; Davidson; Best
[Journal of the American Chemical Society, 1942, vol. 64, p. 2239]

Upstream Synthesis Route 2

• 593-08-8

• 112-37-8

Reference: [1]Chemische Berichte,1879,vol. 12,p. 1669

Downstream Synthesis Route 1

• 79-37-8
• 112-37-8

• 17746-05-3

Reference: [1] Patent: US5521192, 1996, A,

Downstream Synthesis Route 2

• 112-37-8

• 17746-05-3

Reference: [1] Canadian Journal of Chemistry, 2008, vol. 86, # 1, p. 7 - 19

Downstream Synthesis Route 3

• 64-17-5
• 112-37-8

• 627-90-7

Reference: [1]Arkiv foer Kemi,1945,vol. 20 A,p. 11
[2]Annales de Chimie (Cachan, France),1944,vol. <11> 19,p. 487,502
[3]Molecules,2019,vol. 24

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