87-26-3

Basic information

• Product Name: 2-(1-METHYLBUTYL)PHENOL
• Synonyms: 2-(1-METHYLBUTYL)PHENOL;O-SEC-AMYLPHENOL;2-(2-Pentyl)phenol;o-(2-pentyl)phenol;Phenol,2-(1-methylbutyl)-;O-SEC-AMYL PHENOL OR 2-(1-METHYLBUTYL)PHENOL;2-SEC-AMYLPHENOL;2-S-AMYLPHENOL
• CAS NO: 87-26-3
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.24
• EINECS: 201-736-7
• Mol File: 87-26-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 49.82°C (estimate)
• Boiling Point: 242.59°C
• Flash Point: 116.4°C
• Appearance: /
• Density: 0.9590 (estimate)
• Vapor Pressure: 0.0216mmHg at 25°C
• Refractive Index: 1.5103 (estimate)
• PKA: 10.28±0.35(Predicted)
• Water Solubility: 153.8mg/L(25 oC)
• CAS DataBase Reference: 2-(1-METHYLBUTYL)PHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1-METHYLBUTYL)PHENOL(87-26-3)
• EPA Substance Registry System: 2-(1-METHYLBUTYL)PHENOL(87-26-3)

Safety Data

• RIDADR: 1760
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 87-26-3(Hazardous Substances Data)

Usage

Chemical Properties

Clear, straw-colored liquid. Very slightly soluble in water; soluble in oil and organic solvents,. Combustible.

Uses

Different sources of media describe the Uses of 87-26-3 differently. You can refer to the following data:
1. 2-(2-Pentyl)phenol is an intermediate in the synthesis of Dinosam (D409730), used in preparation of Chitosan gel and application thereof in shampoo for preventing alopecia.Also, used in methods and formulations for preventing downward migration of agricultural materials.
2. Dispersing and mixing agent for paint pastes, antiskinning agent for paint, varnish and oleoresinous enamels, organic synthesis.

InChI:InChI=1/C11H16O/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9,12H,3,6H2,1-2H3/t9-/m0/s1

Upstream product

• 6032-29-7 (+/-)-2-pentanol 
• 108-95-2 phenol 
• 73377-38-5 5,6,8,9-tetrahydro-7-phenyldibenzoxanthyilium triflouromethanesulphonate 
• 625-30-9 2-pentylamine 
• 107-87-9 2-Pentanone 
• 109-67-1 1-penten 
• 91763-96-1 2-(2-Methoxy-phenyl)-pentanol-⁽²⁾ 
• 4125-49-9 2-<2-Methoxyphenyl>-pentan 
• 94-06-4 2-(4-Hydroxyphenyl)pentane 
• 118452-82-7 2-(2-Methoxyphenyl)-penten-⁽²⁾ 

Downstream Products

• 74926-92-4 2-ethyl-6-(1-methylbutyl)phenol 
• 4097-36-3 2-sec-amyl-4,6-dinitrophenol 
• 94-06-4 2-(4-Hydroxyphenyl)pentane 
• 74927-02-9 2,6-di-sec-pentylphenol 

Relevant articles and documents

Preparation method of dinosam compound

The invention discloses a preparation method of a dinosam compound, which comprises the following steps: S1) adding phenol, 1-pentene and a rhenium catalyst into a reaction container, and conducting reacting at the temperature of 130-150 DEG C under protective gas; S2) diluting the obtained material with ethyl acetate, conducting washing with water, conducting separating to obtain an organic phase, and conducting drying, filtering and concentrating to obtain a 2-(pent-2-yl)phenol compound; S3) adding a mixed solution of nitric acid and methanesulfonic acid into the reactor, conducting heating to 40-50 DEG C, and dropwise adding the 2-(pent-2-yl)phenol compound into the reactor; and S4) diluting the material obtained in the step S3) with ethyl acetate, conducting washing with water, conducting separating to obtain an organic phase, and conducting drying, filtering and concentrating to obtain the 2,4-dinitro-6-(pent-2-yl)phenol. The method has the advantages of easily available raw materials, high yield, mild reaction conditions and strong specificity; and the method has good regioselectivity, is simple and convenient in post-treatment, and is green and environment-friendly.

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).