16-Hydroxyhexadecanoic Acid

• CAS: 506-13-8
• Catalog Number: ACM506138
• Category: Other Products
• Molecular Weight: 272.42
• Molecular Formula: C16H32O3
• Description: Solid
• Synonyms: Hexadecanoic Acid, 16-Hydroxy-
• IUPAC Name: 16-hydroxyhexadecanoic acid
• SMILES: C(CCCCCCCC(=O)O)CCCCCCCO
• InChI: InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
• InChI Key: UGAGPNKCDRTDHP-UHFFFAOYSA-N
• Boiling Point: 414.4 °C at 760 mmHg
• Melting Point: 94-98 °C(lit.)
• Flash Point: 218.6±17.7 °C
• Density: 1.0±0.1 g/cm3
• Appearance: White solid
• Storage: Freezer
• Complexity: 192
• Covalently-Bonded Unit Count: 1
• EC Number: 208-028-7
• Exact Mass: 272.23514488g/mol
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 3
• Monoisotopic Mass: 272.23514488g/mol
• NSC Number: 159292
• Physical State: Solid
• Refractive Index: 1.469
• Rotatable Bond Count: 15
• Topological Polar Surface Area: 57.5Ų
• UNII: 7IPP3U0F3I
• XLogP3: 4.8

Synthetic Use

Downstream Synthesis Route 1

• 64-17-5
• 506-13-8
• 636-70-4
• 98-59-9

• 2536-35-8

Reference: [1] Patent: US5461036, 1995, A,

Downstream Synthesis Route 2

• 506-13-8

• 2536-35-8

Reference: [1] Tetrahedron Letters, 1999, vol. 40, # 10, p. 2011 - 2014

Downstream Synthesis Route 3

• 67-56-1
• 506-13-8

• 36575-67-4

Reference: [1]Risseeuw, Martijn D.P.; Berkers, Celia R.; Ploegh, Hidde L.; Ovaa, Huib
[Tetrahedron Letters, 2006, vol. 47, # 22, p. 3677 - 3679]

Downstream Synthesis Route 4

• 506-13-8

• 109-29-5

Reference: [1]Location in patent: experimental part
Morales-Serna, Jose Antonio; Sanchez, Ericka; Velazquez, Ricardo; Bernal, Jorge; Garcia-Rios, Erendira; Gavino, Ruben; Negron-Silva, Guillermo; Cardenas, Jorge
[Organic and Biomolecular Chemistry, 2010, vol. 8, # 21, p. 4940 - 4948]

Downstream Synthesis Route 5

• 506-13-8

• 2536-35-8

Reference: [1]Tetrahedron Letters,1999,vol. 40,p. 2011 - 2014

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