4-(1-Ethyl-1,3-dimethylpentyl)phenol

Base Information

• Chemical Name: 4-(1-Ethyl-1,3-dimethylpentyl)phenol
• CAS No.: 186825-36-5
• Molecular Formula: C15H24O
• Molecular Weight: 220.35000
• European Community (EC) Number: 635-389-1
• UNII: 5394ZPD91W
• DSSTox Substance ID: DTXSID701029290
• Nikkaji Number: J815.741C
• Wikidata: Q27261080
• Mol file: 186825-36-5.mol

Synonyms:186825-36-5;353 Nonylphenol;4-(1-Ethyl-1,3-dimethylpentyl)phenol;Phenol, 4-(1-ethyl-1,3-dimethylpentyl)-;P-353NP;4-(3,5-DIMETHYL-3-HEPTYL)PHENOL;4-(3,5-DIMETHYLHEPTAN-3-YL)PHENOL;UNII-5394ZPD91W;5394ZPD91W;(+/-)-4-(1-Ethyl-1,3-dimethylpentyl)phenol;353-NP, 4-(1-Ethyl-1,3-dimethylpentyl)phenol;4-[1-ethyl-1,3-dimethylpentyl]phenol;RYIHVIPUIXFRNI-UHFFFAOYSA-N;DTXSID701029290;4-(3,5-Dimethylheptane-3-yl)phenol;Phenol, 4-(1-ethyl-1,3-dimethylpentyl);J-012011;4-(3,5-Dimethyl-3-heptyl)phenol, analytical standard;Q27261080

Chemical Property of 4-(1-Ethyl-1,3-dimethylpentyl)phenol

Chemical Property:

• Boiling Point: 316.0±11.0 °C(Predicted)
• PKA: 10.13±0.15(Predicted)
• PSA: 20.23000
• Density: 0.927±0.06 g/cm3(Predicted)
• LogP: 4.49610
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

99.9% ^*data from raw suppliers

4-(3,5-Dimethyl-3-heptyl)phenol analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 9325718
• Hazard Codes: C,N
• Statements: 63-22-34-50/53-62
• Safety Statements: 26-36/37/39-45-46-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CCC(C)CC(C)(CC)C1=CC=C(C=C1)O

Technology Process of 4-(1-Ethyl-1,3-dimethylpentyl)phenol

There total 1 articles about 4-(1-Ethyl-1,3-dimethylpentyl)phenol 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:

3,5-dimethyl-3-heptanol (19549-74-7) + phenol (108-95-2,27073-41-2) → 4-[1-ethyl-1,3-dimethylpentyl]phenol (186825-36-5)

Guidance literature:

With boron trifluoride diethyl etherate; In Petroleum ether; at 50 ℃; for 0.25h;

DOI:10.1002/jlcr.641

upstream raw materials:

3,5-dimethyl-3-heptanol

phenol

Refernces

• 1、 Li, Chengliang,Ji, Rong,Vinken, Ralph,Hommes, Gregor,Bertmer, Marko,Schaeffer, Andreas,Corvini, Philippe F.X.. "Role of dissolved humic acids in the biodegradation of a single isomer of nonylphenol by Sphingomonas sp.". . p. 2172 - 2180. Retrieved 2007.
• 2、 Vinken, Ralph,Schmidt, Burkhard,Schaeffer, Andreas. "Synthesis of tertiary 14C-labelled nonylphenol isomers". . p. 1253 - 1263. Retrieved 2007/10/03.