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
• Application: Tridecanoic acid is an off-white or white crystalline solid with a waxy, woody aroma. It plays a versatile role due to its presence as a metabolite in the aging mouse brain and its applications in various fields. In organic synthesis, it is instrumental in creating compounds such as testosterone tridecanoate. Additionally, tridecanoic acid is employed in wastewater treatment, where it acts as a glycol ester to reduce organic molecules like caproic acid and alkanoic acid. Chemically, it is a 13-carbon straight-chain saturated fatty acid, prevalent in certain dairy products and plants such as nutmeg, muskmelon, black elderberry, and coconut. It serves as a crucial internal standard for lipid analysis in broilers and chinook salmon roe, and is used as a reference in gas chromatography for measuring fatty acids in meat samples.
• 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.