3-Pentadecylphenol

Base Information

• Chemical Name: 3-Pentadecylphenol
• CAS No.: 501-24-6
• Molecular Formula: C21H36O
• Molecular Weight: 304.516
• Hs Code.: 29071990
• European Community (EC) Number: 207-921-9
• NSC Number: 9781
• UNII: J10ATZ45ZU
• DSSTox Substance ID: DTXSID9060108
• Nikkaji Number: J150.114C
• Wikidata: Q27281005
• Metabolomics Workbench ID: 46254
• ChEMBL ID: CHEMBL34689
• Mol file: 501-24-6.mol

Synonyms:3-pentadecylphenol

Chemical Property of 3-Pentadecylphenol

Chemical Property:

• Appearance/Colour: slightly brown to pink-brown crystalline chunks
• Vapor Pressure: 4.88E-07mmHg at 25°C
• Melting Point: 50-53 °C(lit.)
• Refractive Index: 1.495
• Boiling Point: 402 °C at 760 mmHg
• PKA: 10.06±0.10(Predicted)
• Flash Point: 246.3 °C
• PSA: 20.23000
• Density: 0.908 g/cm³
• LogP: 7.02590
• Storage Temp.: 2-8°C
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 304.276615768
• Heavy Atom Count: 22
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

3-Pentadecylphenol >90.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC1=CC(=CC=C1)O
• Uses: 3-Pentadecylphenol may be used as a reference standard for the analysis of 3-pentadecylphenol as a bioactive compound in Aplotaxis auriculata rhizome by gas chromatography-mass spectrometry (GC-MS). It has been reported to have been used as a reference standard for the determination of 3-pentadecylphenol in Sakhalin-Ainu as well as Ryukyu lacquerwares and in Japanese ancient lacquerwares excavated from Jomon period ruins by pyrolysis GC-MS.

Technology Process of 3-Pentadecylphenol

There total 22 articles about 3-Pentadecylphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

dimethyl amine (124-40-3) → 3-n-Pentadecylphenol (501-24-6) + N,N-dimethyl-3-pentadecylcyclohexan-1-amine oxide

Guidance literature:

dimethyl amine; cardanol; With palladium 10% on activated carbon; hydrogen; In water; at 100 ℃; for 15h; under 7500.75 Torr; Autoclave;

With dihydrogen peroxide; In water; at 0 - 30 ℃;

DOI:10.1039/c8gc01686k

Reference yield:

3-[(Z)-8-pentadecenyl]phenol (501-26-8) + 3-[8(Z),11(Z)-pentadecadienyl] phenol (51546-63-5) + 3-[(8Z,11Z)-8,11,14-pentadecatrien-1-yl]phenol (79353-39-2) → 3-n-Pentadecylphenol (501-24-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In hexane; at 25 ℃; under 18751.9 Torr;

DOI:10.1016/j.tetlet.2017.04.093

Reference yield:

→ 3-n-Pentadecylphenol (501-24-6)

Guidance literature:

With ethanol; palladium; Hydrogenation;

DOI:10.1021/ie50424a026

upstream raw materials:

quinoline

3-[(Z)-8-pentadecenyl]phenol

Methyl 3-n-pentadecylphenyl ether

6-Pentadecylsalicylic Acid

Downstream raw materials:

4-amino-3-pentadecyl phenol

3-n-pentadecyl-4-nitrophenol

5-n-pentadecyl-2-nitrophenol

3-n-pentadecyl-2,4-dinitrophenol

Refernces

• 1、 Rao, H. Surya Prakash,Kamalraj. "Synthesis and characterisation of coumarins from H-cardanol". . p. 20 - 25. Retrieved 2015.
• 2、 Bragoni, Valentina,Rit, Raja K.,Kirchmann, Robin,Trita, A. Stefania,Goo?en, Lukas J.. "Synthesis of bio-based surfactants from cashew nutshell liquid in water". supporting information. p. 3210 - 3213. Retrieved 2018/07/29.