3307-00-4

Basic information

• Product Name: p-(1-ethylhexyl)phenol
• Synonyms: p-(1-ethylhexyl)phenol;4-(1-Ethylhexyl)phenol;Einecs 221-989-7
• CAS NO: 3307-00-4
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.32388
• EINECS: 221-989-7
• Mol File: 3307-00-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 300.3°Cat760mmHg
• Flash Point: 152.2°C
• Appearance: /
• Density: 0.935g/cm³
• Vapor Pressure: 0.000636mmHg at 25°C
• Refractive Index: 1.505
• CAS DataBase Reference: p-(1-ethylhexyl)phenol(CAS DataBase Reference)
• NIST Chemistry Reference: p-(1-ethylhexyl)phenol(3307-00-4)
• EPA Substance Registry System: p-(1-ethylhexyl)phenol(3307-00-4)

Safety Data

• Hazardous Substances Data: 3307-00-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H22O/c1-3-5-6-7-12(4-2)13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3

Upstream product

• 628-61-5 2-chlorooctane 
• 108-95-2 phenol 
• 100-66-3 methoxybenzene 
• 3307-17-3 3-<4-Methoxyphenyl>-octan-2-ol 
• 121-97-1 4-Methoxypropiophenone 
• 693-25-4 n-pentylmagnesium bromide 
• 17403-87-1 4-<1-Ethylhexen-(1)-yl>-anisol 
• 20012-43-5 2-octyl phenyl ether 
• 1818-08-2 4-(2-octyl)phenol 
• 3307-01-5 p-(4-octyl)phenol 
• 3307-21-9 3-(4-Methoxy-phenyl)-octan 

Downstream Products

• 3307-01-5 p-(4-octyl)phenol 
• 1818-08-2 4-(2-octyl)phenol 
• 4137-13-7 4-n-(α-Ethyl)hexyl-2,6-dinitrophenol 

Relevant articles and documents

Methylation of phenolic hydroxyl group and demethylation of anisoles

A mild methylation of phenolic hydroxyl groups with iodomethane was enabled in the presence of sodium bis(trimethylsilyl)amide at room temperature. The reverse reaction, namely demethylation of methyl phenyl ethers, was easily achieved by microwave heating with neat iodotrimethylsilane.

Equilibria for the isomerization of (secondary-alkyl)phenols and cyclohexylphenols

Equilibria of a series of isomerizations and trans-alkylations of alkylphenols have been investigated in the liquid phase over a wide range of temperatures.Equilibria of isomerizations connected with the displacement of a substituent on a benzene nucleus were studied for secondary-butyl, -amyl, -hexyl, and cyclohexyl-phenols, and di-(secondary-butyl)phenols.Equilibria of positional isomerization connected with the displacement of an oxyphenyl radical in an alkyl chain were investigated for oxyphenyl-pentanes, -hexanes, -octanes, and -decanes.Trans-alkylation was investigated for di- and tri-(secondary-butyl)phenols.Values of ΔrH0m and ΔrS0m were found for all investigated reactions.An analysis was made of the thermodynamic quantities for the reactions.Enthalpies of formation of isopropylphenols (IPP) in the gaseous state were calculated.The values of ΔfH0m/(kJ * mol-1) were found at 298.15 K: o-IPP, -(175.3 +/- 2.4); p-IPP, -(175.3 +/- 2.4); m-IPP, -(175.3 +/-2.4); 2,4-di-IPP, -(254.1 +/- 2.8); 2,5-di-IPP, -(254.1 +/- 2.8); 2,6-di-IPP, -(254.1 +/- 2.8); 3,5-di-IPP, -(254.1 +/- 2.8); 2,4,6-tri-IPP, -(333.0 +/- 3.1).

Solvolysis of N-n-Alkylacridiniums in Phenol and Carboxylic Acids. Primary Carbonium Ions as Possible Intermediates

N-n-Octyl (1a) and N-n-dodecylacridinium (1b) ions solvolyze in phenol to give mixtures of the n-alkyl phenyl ethers and all the isomeric secondary straight-chain o- and p-alkylphenols.Solvolyses of 1a in carboxylic acids give a mixture of 1-, 2-, 3-, and 4-octyl carboxylic esters.Structures are deduced by GC/MS.Mechanisms are discussed.