2,3,5,6-Tetramethylbenzoic acid

Base Information

Chemical Name:2,3,5,6-Tetramethylbenzoic acid
CAS No.:2604-45-7
Molecular Formula:C11H14 O2
Molecular Weight:178.231
Hs Code.:2916399090
European Community (EC) Number:220-015-8
NSC Number:409541
UNII:UTY2MW5SWY
DSSTox Substance ID:DTXSID30180687
Nikkaji Number:J87.844H
Wikidata:Q83051282
Mol file:2604-45-7.mol

Synonyms:2,3,5,6-Tetramethylbenzoic acid;2604-45-7;BENZOIC ACID, 2,3,5,6-TETRAMETHYL-;EINECS 220-015-8;NSC 409541;BRN 2328778;2,3,5,6-TETRAMETHYLBENZOICACID;2,5,6-Tetramethylbenzoic acid;NSC-409541;4-09-00-01894 (Beilstein Handbook Reference);NSC409541;UTY2MW5SWY;Cambridge id 5101344;TimTec1_001603;SCHEMBL238022;DTXSID30180687;Benzoic acid,3,5,6-tetramethyl-;HMS1538I19;CAA60445;2,3,5,6-Tetramethyl benzoic acid;MFCD00013981;STL433513;AKOS000162668;NCGC00174256-01;2,3,5,6-Tetramethylbenzoic acid, 98%;BS-22138;LS-38313;CS-0204342;FT-0609440;D83799;EN300-7423654;AE-562/40723590;J-016234;Z277540128

Suppliers and Price of 2,3,5,6-Tetramethylbenzoic 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

TRC
2,3,5,6-Tetramethylbenzoic acid
100mg
$ 75.00

Sigma-Aldrich
2,3,5,6-Tetramethylbenzoic acid 98%
5g
$ 118.00

Crysdot
2,3,5,6-Tetramethylbenzoic acid 95+%
10g
$ 377.00

Apolloscientific
2,3,5,6-Tetramethylbenzoic acid 95%
5g
$ 435.00

Apolloscientific
2,3,5,6-Tetramethylbenzoic acid 95%
1g
$ 145.00

American Custom Chemicals Corporation
2,3,5,6-TETRAMETHYLBENZOIC ACID 95.00%
10G
$ 1479.56

American Custom Chemicals Corporation
2,3,5,6-TETRAMETHYLBENZOIC ACID 95.00%
5G
$ 1018.71

American Custom Chemicals Corporation
2,3,5,6-TETRAMETHYLBENZOIC ACID 95.00%
1G
$ 685.21

AK Scientific
2,3,5,6-Tetramethylbenzoic acid
2.5g
$ 293.00

AK Scientific
2,3,5,6-Tetramethylbenzoic acid
1g
$ 212.00

Total 13 raw suppliers

Chemical Property of 2,3,5,6-Tetramethylbenzoic acid

Chemical Property:

Vapor Pressure:0.000266mmHg at 25°C
Melting Point:178-181 °C(lit.)
Boiling Point:310°Cat760mmHg
PKA:3.74±0.32(Predicted)
Flash Point:145.5°C
PSA：37.30000
Density:1.066g/cm³
LogP:2.61840
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:186

Purity/Quality:

99% ^*data from raw suppliers

2,3,5,6-Tetramethylbenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,3,5,6-Tetramethylbenzoic acid

There total 6 articles about 2,3,5,6-Tetramethylbenzoic 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:

: 509-14-8
tetranitromethane

: 95-93-2
1,2,4,5-tetramethylbenzene

: 5779-72-6
2,4,5-trimethylbenzaldehyde

: 3463-36-3
2,3,5,6-tetramethylnitrobenzene

: 2604-45-7
2,3,5,6-tetramethylbenzoic acid

: 60368-03-8
(2,4,5-trimethylphenyl)nitromethane

: 119296-67-2
1-(2',2',2'-Trinitroethyl)-2,4,5-trimethylbenzene

Guidance literature:: In acetonitrile; Product distribution; Mechanism; Irradiation; various reaction conditions;
DOI:10.1021/ja00188a048

Reference yield:

: 873382-74-2
2-(2.4.6-trimethyl-phenyl)-1-(2.3.5.6-tetramethyl-phenyl)-propen-⁽¹⁾-ol-⁽¹⁾

: 67-64-1
acetone

: 527-35-5
2,3,5,6-tetramethylphenol

: 1667-01-2,51885-97-3
2,4,6-Trimethylacetophenone

: 2604-45-7
2,3,5,6-tetramethylbenzoic acid

Guidance literature:: DOI:10.1021/ja01264a049

Reference yield:

: 1646-53-3
bromodurene

: 2604-45-7
2,3,5,6-tetramethylbenzoic acid

Guidance literature:: With diethyl ether; magnesium; benzene; Einleiten von Kohlendioxid in die Reaktionsloesung;
DOI:10.1021/ja01851a004 DOI:10.1021/ja01187a010