Heptacosanoic acid

• CAS: 7138-40-1
• Catalog Number: ACM7138401
• Category: Other Products
• Molecular Weight: 410.72
• Molecular Formula: C27H54O2
• Description: Solid
• Synonyms: Heptacosylic acid; Carboceric acid
• IUPAC Name: heptacosanoic acid
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)
• InChI Key: VXZBFBRLRNDJCS-UHFFFAOYSA-N
• Storage: Room temperature
• CNo.Chain: C27:0
• Complexity: 314
• Covalently-Bonded Unit Count: 1
• EC Number: 230-436-9
• Exact Mass: 410.412381g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 29
• Monoisotopic Mass: 410.412381g/mol
• Physical State: Solid
• Rotatable Bond Count: 25
• UNII: 9J1CDT7DOJ
• XLogP3: 12.3

Synthetic Use

Upstream Synthesis Route 1

• 52644-81-2

• 7138-40-1

Reference: [1]Piper; Chibnall; Williams
[Biochemical Journal, 1934, vol. 28, p. 2175]
Francis; Piper; Malkin
[Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences, 1930, vol. 128, p. 224]
Shiina
[The journal of the Society of Chemical Industry, Japan. Supplemental binding., 1936, vol. 39, p. 180][Chemisches Zentralblatt, 1937, vol. 108, # I, p. 4224]

Upstream Synthesis Route 2

• 103099-65-6

• 7138-40-1

Reference: [1]Breusch et al.
[Fette und Seifen, 1959, vol. 61, p. 891]

Upstream Synthesis Route 3

• 103265-63-0

• 7138-40-1

Reference: [1]Lukes; Dolezal
[Collection of Czechoslovak Chemical Communications, 1958, vol. 23, p. 1100,1102,1107]