3-tert-Butylphenol

Base Information Edit

Chemical Name:3-tert-Butylphenol
CAS No.:585-34-2
Molecular Formula:C10H14O
Molecular Weight:150.221
Hs Code.:29071990
European Community (EC) Number:209-553-4
UNII:2382U55WN2
DSSTox Substance ID:DTXSID9044825
Nikkaji Number:J47.447I
Wikidata:Q27116004
Metabolomics Workbench ID:67618
ChEMBL ID:CHEMBL224899
Mol file:585-34-2.mol

Synonyms:3-tert-Butylphenol;585-34-2;m-tert-Butylphenol;3-(tert-butyl)phenol;Phenol, 3-(1,1-dimethylethyl)-;3-t-Butylphenol;3-tert-butyl-phenol;Phenol, m-tert-butyl-;DTXSID9044825;UNII-2382U55WN2;CHEBI:34348;EINECS 209-553-4;2382U55WN2;MFCD00002300;3-tertbutylphenol;3-tert.butylphenol;m-tert.-butylphenol;3-tert.-butylphenol;3-tert-Butyl phenol;Phenol, 3-tert-butyl-;ST50824235;3-tert-butyl-hydroxybenzene;3-tert-Butylphenol, 99%;SCHEMBL50933;BIDD:ER0561;CHEMBL224899;3-(1,1-dimethylethyl)-phenol;DTXCID7024825;CYEKUDPFXBLGHH-UHFFFAOYSA-;Tox21_301686;3-(1,1-DIMETHYLETHYL)PHENOL;5-TERT-BUTYL-1-HYDROXYBENZENE;AKOS000120521;NCGC00256058-01;AC-26474;AS-14546;CAS-585-34-2;B0731;CS-0015724;FT-0616395;EN300-20961;O11053;A831909;AE-562/43460593;Q-200396;Q27116004

Suppliers and Price of 3-tert-Butylphenol

Supply Marketing:Edit

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

TRC
3-tert-Butylphenol
5g
$ 65.00

TCI Chemical
3-tert-Butylphenol >98.0%(GC)
25g
$ 71.00

TCI Chemical
3-tert-Butylphenol >98.0%(GC)
500g
$ 488.00

Sigma-Aldrich
3-tert-Butylphenol 99%
1g
$ 33.70

Matrix Scientific
3-(tert-Butyl)phenol
5g
$ 720.00

Matrix Scientific
3-(tert-Butyl)phenol
10g
$ 1062.00

Matrix Scientific
3-(tert-Butyl)phenol
1g
$ 316.00

Frontier Specialty Chemicals
3-tert-Butylphenol 99%
500g
$ 398.00

Frontier Specialty Chemicals
3-tert-Butylphenol 99%
5g
$ 14.00

Frontier Specialty Chemicals
3-tert-Butylphenol 99%
25g
$ 57.00

Total 104 raw suppliers

Chemical Property of 3-tert-Butylphenol Edit

Chemical Property:

Appearance/Colour:white to almost white crystalline powder
Vapor Pressure:0.0251mmHg at 25°C
Melting Point:44-46 °C(lit.)
Refractive Index:1.513
Boiling Point:240 °C at 760 mmHg
PKA:10.12(at 25℃)
Flash Point:109.5 °C
PSA：20.23000
Density:0.971 g/cm³
LogP:2.68970
Storage Temp.:Inert atmosphere,Room Temperature
Water Solubility.:Practically insoluble in water
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:150.104465066
Heavy Atom Count:11
Complexity:123

Purity/Quality:

99.9% ^*data from raw suppliers

3-tert-Butylphenol ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C
Statements: 34-20/21/22
Safety Statements: 26-27-28-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Phenols
Canonical SMILES:CC(C)(C)C1=CC(=CC=C1)O
Uses 3-tert-Butylphenol has been used to study the effect of alkyl group on the phenol ring on the estrogenic potency of alkylphenolic compounds in the yeast screen.

Technology Process of 3-tert-Butylphenol

There total 30 articles about 3-tert-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: 96.0%

: 585-34-2
3-tert-butylphenyol

: 5369-19-7
3-tert-butylaniline

Guidance literature:

Reference yield: 90.2%

: 2,4?diamino?5?hydroxy-tert-butylbenzene

: 585-34-2
3-tert-butylphenyol

Guidance literature:: 2,4?diamino?5?hydroxy-tert-butylbenzene; With sulfuric acid; copper(II) oxide; In isopropyl alcohol; at 60 ℃; for 0.5h;

With sodium nitrite; In water; isopropyl alcohol; for 4h; Reagent/catalyst;