2,4-DI-Sec-butylphenol

Base Information

• Chemical Name: 2,4-DI-Sec-butylphenol
• CAS No.: 1849-18-9
• Molecular Formula: C14H22 O
• Molecular Weight: 206.328
• Hs Code.: 2907199090
• European Community (EC) Number: 217-434-3
• NSC Number: 163957
• UNII: 4S9NLO660D
• DSSTox Substance ID: DTXSID4029351
• Nikkaji Number: J79.299C
• Wikidata: Q27260426
• ChEMBL ID: CHEMBL27134
• Mol file: 1849-18-9.mol

Synonyms:2,4-DI-SEC-BUTYLPHENOL;1849-18-9;2,4-di(butan-2-yl)phenol;Phenol, 2,4-di-sec-butyl-;Phenol, 2,4-bis(1-methylpropyl)-;Phenol,2,4-bis(1-methylpropyl)-;EINECS 217-434-3;NSC 163957;BRN 2091118;UNII-4S9NLO660D;4S9NLO660D;NSC-163957;4-06-00-03491 (Beilstein Handbook Reference);2,4-disec-butylphenol;NSC163957;2,4-di-s-butylphenol;Phenol,4-di-sec-butyl-;CHEMBL27134;SCHEMBL487428;Phenol, bis(1-methylpropyl)-;2,4-Bis(1-methylpropyl)phenol;DTXSID4029351;Phenol,4-bis(1-methylpropyl)-;2,4-bis(1-methyl-propyl)-phenol;C(C)(CC)c1cc(ccc1O)C(C)CC;STK400131;AKOS024285903;LS-104316;FT-0610722;FT-0741558;Q27260426

Chemical Property of 2,4-DI-Sec-butylphenol

Chemical Property:

• Boiling Point: 280.9°Cat760mmHg
• Flash Point: 129.4°C
• PSA: 20.23000
• Density: 0.933g/cm³
• LogP: 4.41920
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C1=CC(=C(C=C1)O)C(C)CC

Technology Process of 2,4-DI-Sec-butylphenol

There total 10 articles about 2,4-DI-Sec-butylphenol 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:

butan-1-ol (71-36-3) + phenol (108-95-2,27073-41-2) → 2-sec-butylphenol (89-72-5) + 4-(1-methylpropyl)phenol (99-71-8) + n-butyl phenyl ether (1126-79-0) + 2,4-di-(sec-butyl)phenol (1849-18-9) + 2,6-di-sec-butylphenol (5510-99-6) + 2,4,6-tri-(sec-butyl)phenol (5892-47-7)

Guidance literature:

multistep reaction; alkylation of phenol in the presence of KU-23 sulfonated cation-exchanger;

Reference yield:

butan-1-ol (71-36-3) + phenol (108-95-2,27073-41-2) → 2-sec-butylphenol (89-72-5) + 4-(1-methylpropyl)phenol (99-71-8) + 2,4-di-(sec-butyl)phenol (1849-18-9) + 2,6-di-sec-butylphenol (5510-99-6)

Guidance literature:

With aluminum oxide; KU-23 sulfonated cation-exchanger; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given; 1.) 593-603 K, 2.) 373-403 K;

Reference yield:

2,4,6-tri-(sec-butyl)phenol (5892-47-7) + phenol (108-95-2,27073-41-2) → 2-sec-butylphenol (89-72-5) + 2,4-di-(sec-butyl)phenol (1849-18-9)

Guidance literature:

Al(Hal)3; at 169.9 ℃; for 24h; Equilibrium constant; Thermodynamic data; var. temp., time, Δ_rH⁰_m, Δ_rS⁰_m;

DOI:10.1016/0021-9614(89)90139-0

upstream raw materials:

2,4-di-sec-butyl-anisole

iso-butanol

phenol

2-sec-butylphenol

Downstream raw materials:

2,4,6-tri-(sec-butyl)phenol

phenol

2-sec-butylphenol

4-(1-methylpropyl)phenol

Refernces

• 1、 Verevkin, S. P.,Rozhnov, A. M.,Kashkarova, I. B.,Zimichev, A. V.. "PRINCIPLES OF ALKYLATION OF PHENOL BY n-BUTYLENES IN THE PRESENCE OF KU-23 SULFONATED CATION-EXCHANGER". . p. 1958 - 1961. Retrieved 2007/10/02.