4-(2,4,4-Trimethylpentan-2-yl)benzoic acid

Base Information

Chemical Name:4-(2,4,4-Trimethylpentan-2-yl)benzoic acid
CAS No.:20457-62-9
Molecular Formula:C15H22O2
Molecular Weight:234.338
Hs Code.:
NSC Number:52618
DSSTox Substance ID:DTXSID00287819
Wikidata:Q82023982

Synonyms:4-(2,4,4-trimethylpentan-2-yl)benzoic acid;20457-62-9;4-t-Octylbenzoic acid;NSC52618;SCHEMBL448814;DTXSID00287819;HXFGZQYTVLANQR-UHFFFAOYSA-N;NSC-52618;4-(2,4,4-trimethylpentan-2-yl)benzoicacid

Suppliers and Price of 4-(2,4,4-Trimethylpentan-2-yl)benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 4-(2,4,4-Trimethylpentan-2-yl)benzoic acid

Chemical Property:

Vapor Pressure:4.63E-05mmHg at 25°C
Boiling Point:335.7°Cat760mmHg
Flash Point:163.4°C
Density:0.998g/cm³
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:234.161979940
Heavy Atom Count:17
Complexity:265

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(2,4,4-Trimethylpentan-2-yl)benzoic acid

There total 7 articles about 4-(2,4,4-Trimethylpentan-2-yl)benzoic acid 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: 91.9%

: C₁₅H₂₁N

: 20457-62-9
4-(1,1,3,3-tetramethyl-butyl)-benzoic acid

Guidance literature:: With water; sodium hydroxide; at 80 ℃;

Reference yield:

: 2055-77-8
4-t-octylphenol

: 20457-62-9
4-(1,1,3,3-tetramethyl-butyl)-benzoic acid

Guidance literature:: With air; cobalt catalyst; at 135 ℃;
DOI:10.1021/ie50551a035

Reference yield:

: 107-39-1
2,4,4-trimethyl-1-pentene

: 20457-62-9
4-(1,1,3,3-tetramethyl-butyl)-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: acidic catalyst

2: KMnO₄; pyridine / 88 °C

With pyridine; potassium permanganate; Acidic catalyst;
DOI:10.1021/ja01120a527