2,4,6-Trimethylbenzenesulfonic acid

Base Information

Chemical Name:2,4,6-Trimethylbenzenesulfonic acid
CAS No.:3453-83-6
Molecular Formula:C9H12O3S
Molecular Weight:200.258
Hs Code.:2904100000
European Community (EC) Number:222-379-3
NSC Number:5233
UNII:B7T8KN72DC
DSSTox Substance ID:DTXSID20188076
Nikkaji Number:J27.496H
Wikidata:Q63409559
Mol file:3453-83-6.mol

Synonyms:3453-83-6;2,4,6-Trimethylbenzenesulfonic acid;2-Mesitylenesulfonic acid;Mesitylenesulfonic acid;Benzenesulfonic acid, 2,4,6-trimethyl-;Mesitylsulfonic acid;B7T8KN72DC;NSC-5233;EINECS 222-379-3;Mesitylene-2-sulfonic acid dihydrate;Mesitylene-2-sulphonic acid dihydrate;2,4,6-Trimethylbenzenesulfonicacid;UNII-B7T8KN72DC;Mesitylene-2-sulphonic acid;SCHEMBL23788;LXFQSRIDYRFTJW-UHFFFAOYSA-;DTXSID20188076;NSC5233;NSC 5233;AKOS000291438;2,4,6-trimethylbenzene-1-sulfonic acid;AS-81341;FT-0612777;E83363;W-106730;Q63409559;tert-butyl 2-(4-(cyclopentylcarbamoyl)piperidin-1-yl)nicotinate

Suppliers and Price of 2,4,6-Trimethylbenzenesulfonic 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

AHH
Mesitylenesulphonylchloride 98%
25g
$ 495.00

American Custom Chemicals Corporation
MESITYLENESULPHONIC ACID HYDRATE 95.00%
5MG
$ 502.98

Crysdot
2,4,6-Trimethylbenzenesulfonicacid 95+%
25g
$ 215.00

Sigma-Aldrich
2-Mesitylenesulfonyl chloride 99%
5 g
$ 22.60

Sigma-Aldrich
2-Mesitylenesulfonyl chloride 99%
25 g
$ 62.30

Sigma-Aldrich
2-Mesitylenesulfonyl chloride 99%
100 g
$ 164.00

Total 34 raw suppliers

Chemical Property of 2,4,6-Trimethylbenzenesulfonic acid

Chemical Property:

Melting Point:55-57 °C(lit. )
Refractive Index:1.545
PKA:-0.29±0.50(Predicted)
Flash Point:>230 °F
PSA：62.75000
Density:1.243 g/cm³
LogP:2.93930
Storage Temp.:2-8°C
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:200.05071541
Heavy Atom Count:13
Complexity:253

Purity/Quality:

98% ^*data from raw suppliers

Mesitylenesulphonylchloride 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

Technology Process of 2,4,6-Trimethylbenzenesulfonic acid

There total 37 articles about 2,4,6-Trimethylbenzenesulfonic 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: 96.0%

: 81292-92-4
2,4,6-Trimethyl-1-benzolsulfonsaeure-trimethylsilylester

: 3453-83-6
mesitylene sulfonic acid

Guidance literature:: With hydrogenchloride; at 0 ℃; for 0.3h;

Reference yield: 95.0%

: 36016-40-7
mesitylenesulfonylhydroxylamine

: 75-07-0,9002-91-9
acetaldehyde

: 3453-83-6
mesitylene sulfonic acid

: 75-05-8,26809-02-9
acetonitrile

Guidance literature:: In dichloromethane; at 20 ℃; for 16h; Product distribution;
DOI:10.1007/BF00952389

Reference yield:

: 5623-45-0
dimesityl ketone

: 480-63-7
mesitylenecarboxylic acid

: 3453-83-6
mesitylene sulfonic acid

: 108-67-8
1,3,5-trimethyl-benzene

Guidance literature:: With sulfuric acid; at 25 ℃; Kinetics; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.);
DOI:10.1039/P29800000835