3,4-Xylenol, 6-tert-butyl-

Base Information

Chemical Name:3,4-Xylenol, 6-tert-butyl-
CAS No.:1445-23-4
Molecular Formula:C12H18 O
Molecular Weight:178.274
Hs Code.:2907199090
European Community (EC) Number:215-891-3
DSSTox Substance ID:DTXSID00162733
Nikkaji Number:J40.783F
Wikidata:Q83031482
Mol file:1445-23-4.mol

Synonyms:1445-23-4;2-tert-butyl-4,5-dimethylphenol;2-tert-Butyl-4,5-xylenol;3,4-Xylenol, 6-tert-butyl-;6-tert-Butyl-3,4-xylenol;BRN 2327366;EINECS 215-891-3;Phenol, 2-(1,1-dimethylethyl)-4,5-dimethyl-;3-06-00-02019 (Beilstein Handbook Reference);SCHEMBL395984;3,4-dimethyl-6-t-butylphenol;DTXSID00162733;2-tert-butyl-4,5-dimethyl-phenol;AKOS025296264;LS-162626;FT-0699743

Suppliers and Price of 3,4-Xylenol, 6-tert-butyl-

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 9 raw suppliers

Chemical Property of 3,4-Xylenol, 6-tert-butyl-

Chemical Property:

Vapor Pressure:0.0089mmHg at 25°C
Melting Point:46°C
Refractive Index:1.5222
Boiling Point:257.7°Cat760mmHg
Flash Point:115.7°C
PSA：20.23000
Density:0.952g/cm³
LogP:3.30650
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:178.135765193
Heavy Atom Count:13
Complexity:169

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1C)O)C(C)(C)C

Technology Process of 3,4-Xylenol, 6-tert-butyl-

There total 6 articles about 3,4-Xylenol, 6-tert-butyl- 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: 100.0%

: 95-65-8
3,4-Dimethylphenol

: 115-11-7,15220-85-6
isobutene

: 1445-23-4
2-(1,1-dimethylethyl)-4,5-dimethylphenol

Guidance literature:: With sulfuric acid; at 65 ℃; for 3h; under 1034.3 Torr;
DOI:10.1021/ja974353i

Reference yield: 90.0%

: 95-65-8
3,4-Dimethylphenol

: 507-20-0
tertiary butyl chloride

: 1445-23-4
2-(1,1-dimethylethyl)-4,5-dimethylphenol

Guidance literature:: at 80 - 85 ℃; for 24h;
DOI:10.1055/s-1989-27134

Reference yield:

: C₁₄H₂₁BO₂

: 1445-23-4
2-(1,1-dimethylethyl)-4,5-dimethylphenol

Guidance literature:: With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; methanol; at 0 ℃; for 1h; Inert atmosphere;
DOI:10.1021/ja500183z