Tridecanoic Acid

• CAS: 638-53-9
• Catalog Number: ACM638539
• Category: Fatty Acids and Ester Homologs
• Molecular Weight: 214.34
• Molecular Formula: C13H26O2
• Description: Solid;Solid
• Synonyms: N-Tridecanoic Acid
• IUPAC Name: tridecanoic acid
• Canonical SMILES: CCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
• InChI Key: SZHOJFHSIKHZHA-UHFFFAOYSA-N
• Boiling Point: 236 °C
• Melting Point: 44.5 °C;44.5 °C;44.5°C
• Solubility: 1.54e-04 M;0.033 mg/mL at 20 °C;0.033 mg/mL
• Appearance: Solid
• Storage: Room temperature
• CNo Chain: C13:0
• Complexity: 144
• Compound Derivative: Acid
• Covalently-Bonded Unit Count: 1
• EC Number: 211-341-1;268-105-6
• Exact Mass: 214.19328g/mol
• Fatty Acid: Tridecanoic
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 15
• Monoisotopic Mass: 214.19328g/mol
• NSC Number: 69131;25955
• Physical State: Solid
• Rotatable Bond Count: 11
• UNII: 19936LIY2V
• Vapor Pressure: 1.26e-05 mmHg
• XLogP3: 4.7

Synthetic Use

Upstream Synthesis Route 1

• 114379-24-7
• 5435-44-9

• 638-53-9

Reference: [1]Monatshefte fur Chemie,1951,vol. 82,p. 767,772

Upstream Synthesis Route 2

• 114379-24-7

• 638-53-9

Reference: [1]Monatshefte fur Chemie,1951,vol. 82,p. 767,772

Downstream Synthesis Route 1

• 638-53-9
• 498-63-5

• 3554-65-2

Reference: [1] Patent: US5059628, 1991, A,

Downstream Synthesis Route 2

• 111-20-6
• 638-53-9

• 2363-71-5

Reference: [1]Journal of Biological Chemistry,1914,vol. 18,p. 464
[2]Journal of the American Chemical Society,1945,vol. 67,p. 448

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