3,4-Dimethylbenzoic acid

Base Information

Chemical Name:3,4-Dimethylbenzoic acid
CAS No.:619-04-5
Molecular Formula:C9H10O2
Molecular Weight:150.177
Hs Code.:29163900
European Community (EC) Number:210-576-7
UNII:Z2TCZ088AV
DSSTox Substance ID:DTXSID5060693
Nikkaji Number:J83.362B
Wikidata:Q27133457
Metabolomics Workbench ID:38090
Mol file:619-04-5.mol

Synonyms:3,4-dimethylbenzoate;3,4-dimethylbenzoic acid

Suppliers and Price of 3,4-Dimethylbenzoic 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
3,4-Dimethylbenzoic acid
1g
$ 55.00

TCI Chemical
3,4-Dimethylbenzoic Acid >99.0%(T)
25g
$ 68.00

TCI Chemical
3,4-Dimethylbenzoic Acid >99.0%(T)
10g
$ 41.00

SynQuest Laboratories
3,4-Dimethylbenzoic acid
25 g
$ 26.00

SynQuest Laboratories
3,4-Dimethylbenzoic acid
100 g
$ 98.00

SynQuest Laboratories
3,4-Dimethylbenzoic acid
500 g
$ 434.00

Sigma-Aldrich
3,4-Dimethylbenzoic acid 98%
100g
$ 253.00

Sigma-Aldrich
3,4-Dimethylbenzoic acid 98%
10g
$ 60.20

Matrix Scientific
3,4-Dimethylbenzoic acid >97%
25g
$ 24.00

Matrix Scientific
3,4-Dimethylbenzoic acid >97%
5g
$ 15.00

Total 103 raw suppliers

Chemical Property of 3,4-Dimethylbenzoic acid

Chemical Property:

Appearance/Colour:White to offer-white powder.
Vapor Pressure:0.000728mmHg at 25°C
Melting Point:163-165 °C(lit.)
Refractive Index:1.549
Boiling Point:294.6 °C at 760 mmHg
PKA:4.44±0.10(Predicted)
Flash Point:134.9 °C
PSA：37.30000
Density:1.116 g/cm³
LogP:2.00160
Storage Temp.:Store below +30°C.
Water Solubility.:129.2mg/L(temperature not stated)
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:150.068079557
Heavy Atom Count:11
Complexity:154

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethylbenzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn; Xi
Hazard Codes:Xi,Xn
Statements: 36/37/38-22
Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3,4-Dimethylbenzoic acid

There total 79 articles about 3,4-Dimethylbenzoic 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: 99.0%

: 23182-07-2
(+/-)-3,4-dimethylcyclohex-3-ene carboxylic acid

: 619-04-5
3,4-dimethylbenzoic acid

Guidance literature:: With 2-(Dimethylamino)pyridine; palladium(II) trifluoroacetate; oxygen; toluene-4-sulfonic acid; In 1,3,5-trimethyl-benzene; at 100 ℃; for 24h; under 760.051 Torr;
DOI:10.1126/science.1204183

Reference yield: 99.0%

: 201230-82-2
carbon monoxide

: 2192-34-9
3,4-(dimethyl)benzenediazonium tetrafluoroborate

: 619-04-5
3,4-dimethylbenzoic acid

Guidance literature:: With Ru(2,2'-bipyridine)₃Cl₂·6H₂O; water; In acetonitrile; at 20 ℃; for 3h; under 7500.75 Torr; Autoclave; Irradiation;
DOI:10.1002/adsc.201800532

Reference yield: 95.0%

: 1239951-49-5
4,5-dimethylcyclohexa-1,4-dienecarboxylic acid

: 619-04-5
3,4-dimethylbenzoic acid

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; at 25 ℃; for 4h; Inert atmosphere;
DOI:10.1016/j.tetlet.2010.04.132