2,3,6-Trimethylphenol

Base Information Edit

Chemical Name:2,3,6-Trimethylphenol
CAS No.:2416-94-6
Deprecated CAS:50356-13-3
Molecular Formula:C9H12O
Molecular Weight:136.194
Hs Code.:2907199090
European Community (EC) Number:219-330-3
NSC Number:91509
UNII:05WKL2L5LJ
DSSTox Substance ID:DTXSID6022187
Nikkaji Number:J116.743J
Wikipedia:2,3,6-Trimethylphenol
Wikidata:Q27236151
Metabolomics Workbench ID:43973
ChEMBL ID:CHEMBL3182738
Mol file:2416-94-6.mol

Synonyms:2,3,6-TRIMETHYLPHENOL;2416-94-6;3-Hydroxypseudocumene;Phenol, 2,3,6-trimethyl-;1-Hydroxy-2,3,6-trimethylbenzene;2,3,6-trimethyl-phenol;HSDB 5876;2,3,6-TRIMETHYL PHENOL;EINECS 219-330-3;NSC 91509;UNII-05WKL2L5LJ;05WKL2L5LJ;DTXSID6022187;MFCD00002229;NSC-91509;EC 219-330-3;DTXCID602187;CAS-2416-94-6;347841-83-2;fema 3963;NSC91509;2,5,6-trimethylphenol;2,3,6 - trimethylphenol;SCHEMBL23915;CHEMBL3182738;FEMA NO. 3963;2,3,6-Trimethylphenol, 95%;CHEBI:169180;Tox21_202274;Tox21_300059;1-Hydroxy-2,3, 6-trimethylbenzene;STL280176;AKOS000120327;AM62792;CCG-302510;2,3,6-TRIMETHYLPHENOL [FHFI];2,3,6-TRIMETHYLPHENOL [HSDB];NCGC00247892-01;NCGC00247892-02;NCGC00253981-01;NCGC00259823-01;AC-10656;LS-184924;CS-0186482;FT-0687168;T0877;EN300-20609;A817125;W-107343;Q27236151;Z104479158;25511-57-3

Suppliers and Price of 2,3,6-Trimethylphenol

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

TCI Chemical
2,3,6-Trimethylphenol >98.0%(GC)
25g
$ 21.00

TCI Chemical
2,3,6-Trimethylphenol >98.0%(GC)
500g
$ 155.00

Crysdot
2,3,6-Trimethylphenol 95+%
25g
$ 85.00

BLDpharm
2,3,6-Trimethylphenol 98%
25g
$ 12.00

American Custom Chemicals Corporation
2,3,6-TRIMETHYLPHENOL 95.00%
500MG
$ 794.36

Alfa Aesar
2,3,6-Trimethylphenol, 95%
25g
$ 20.90

Alfa Aesar
2,3,6-Trimethylphenol, 95%
100g
$ 65.80

AK Scientific
2,3,6-Trimethylphenol
25g
$ 29.00

Total 81 raw suppliers

Chemical Property of 2,3,6-Trimethylphenol Edit

Chemical Property:

Appearance/Colour:White or yellow
Vapor Pressure:0.0661mmHg at 25°C
Melting Point:59-62 °C(lit.)
Refractive Index:1.535
Boiling Point:223.022 °C at 760 mmHg
PKA:10.77±0.15(Predicted)
Flash Point:99.96 °C
PSA：20.23000
Density:0.996 g/cm³
LogP:2.31740
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:methanol: 0.1 g/mL, clear
Water Solubility.:1.42g/L at 25℃
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:136.088815002
Heavy Atom Count:10
Complexity:111

Purity/Quality:

99.9% ^*data from raw suppliers

2,3,6-Trimethylphenol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): C, Xi
Hazard Codes:C,Xi
Statements: 37/38-41-36/37/38-34-43-38
Safety Statements: 26-39-24/25-45-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Phenols
Canonical SMILES:CC1=C(C(=C(C=C1)C)O)C
Uses 2,3,6-Trimethylphenol is used as intermediate for synthetic vitamin E. It is used for manufacturing 2, 3, 5-Trimethylhydroquinone. It is used as intermediate for antioxidants and plastics. It is used as a comonomer for the modification of polyphenylene oxide resins.

Technology Process of 2,3,6-Trimethylphenol

There total 49 articles about 2,3,6-Trimethylphenol 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: 89.1%