Pentadecanoic acid

• CAS: 1002-84-2
• Catalog Number: ACM1002842
• Category: Fatty Acids and Ester Homologs
• Molecular Weight: 242.40
• Molecular Formula: C15H30O2
• Description: OtherSolid;Solid;Solid
• Synonyms: Pentadecylic acid
• IUPAC Name: pentadecanoic acid
• Canonical SMILES: CCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
• InChI Key: WQEPLUUGTLDZJY-UHFFFAOYSA-N
• Boiling Point: 257 °C
• Melting Point: 51-53 °C (lit.)
• Appearance: Solid
• Storage: Room temperature
• CNo Chain: C15:0
• Complexity: 166
• Compound Derivative: Acid
• Covalently-Bonded Unit Count: 1
• EC Number: 213-693-1
• Exact Mass: 242.22458g/mol
• Fatty Acid: Pentadecanoic
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 17
• Monoisotopic Mass: 242.22458g/mol
• NSC Number: 28486
• Physical State: Solid
• Rotatable Bond Count: 13
• UNII: CCW02D961F
• Vapor Pressure: 4.35e-07 mmHg
• XLogP3: 5.8

Synthetic Use

Upstream Synthesis Route 1

• 764-67-0

• 1002-84-2

Reference: [1]Recueil des Travaux Chimiques des Pays-Bas,1939,vol. 58,p. 1141
[2]Journal of Biological Chemistry,1913,vol. 16,p. 478
Journal of Biological Chemistry,1914,vol. 18,p. 466
[3]Journal of Biological Chemistry,1913,vol. 16,p. 478
Journal of Biological Chemistry,1914,vol. 18,p. 466
[4]Journal of the Chemical Society,1905,vol. 87,p. 1901

Downstream Synthesis Route 1

• 67-56-1
• 1002-84-2

• 7132-64-1

Reference: [1]Ruhoff; Reid
[Journal of the Chemical Society, 1933, vol. 55, p. 3827]
[2]Location in patent: experimental part
Taveira, Marcos; Silva, Luis R.; Vale-Silva, Luis A.; Pinto, Eugenia; Valentao, Patricia; Ferreres, Federico; Guedes De Pinho, Paula; Andrade, Paula B.
[Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 17, p. 9529 - 9536]

Downstream Synthesis Route 2

• 64-17-5
• 1002-84-2

• 41114-00-5

Reference: [1]Ruhoff
[Organic Syntheses, 1936, vol. 16, p. 37]
Landa
[Bulletin de la Societe Chimique de France, 1928, vol. <4>43, p. 1087]

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