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2,3,4-Trimethylbenzoic acid, a derivative of benzoic acid, is a chemical compound characterized by its molecular formula C10H12O2. It features a benzene ring with three methyl groups attached at the 2nd, 3rd, and 4th positions, resulting in a white crystalline powder. 2,3,4-TRIMETHYLBENZOICACID is insoluble in water but readily soluble in organic solvents. Its unique structure and properties make it a versatile compound in various applications, particularly in the pharmaceutical, fragrance, and flavoring industries.

1076-47-7

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1076-47-7 Usage

Uses

Used in Pharmaceutical Industry:
2,3,4-Trimethylbenzoic acid is used as an intermediate in the synthesis of various pharmaceuticals. Its chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in Fragrance Industry:
2,3,4-Trimethylbenzoic acid is used as a raw material in the production of various fragrances. Its unique aroma profile contributes to the creation of distinct and appealing scents for perfumes, cosmetics, and other scented products.
Used in Flavoring Industry:
In the flavoring industry, 2,3,4-Trimethylbenzoic acid is utilized to enhance the taste and aroma of food and beverage products. Its ability to impart a specific flavor profile makes it a valuable ingredient in the development of new and innovative flavors.
Used in Medicinal Chemistry Research:
2,3,4-Trimethylbenzoic acid is studied for its potential anti-inflammatory and antimicrobial properties. Its ability to modulate biological processes and exhibit therapeutic effects makes it a promising candidate for further research and development in the field of medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 1076-47-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,7 and 6 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1076-47:
(6*1)+(5*0)+(4*7)+(3*6)+(2*4)+(1*7)=67
67 % 10 = 7
So 1076-47-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H12O2/c1-6-4-5-9(10(11)12)8(3)7(6)2/h4-5H,1-3H3,(H,11,12)

1076-47-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name trimethylbenzoic acid

1.2 Other means of identification

Product number -
Other names Benzoic acid, 2,3,4-trimethyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1076-47-7 SDS

1076-47-7Relevant academic research and scientific papers

SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES

-

, (2022/02/09)

Disclosed are compounds of Formula 1, all stereoisomers, N-oxides and salts thereof, wherein G is CONR5R6 or selected from and R1 through R18 Rf and G are as defined in the Disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of a compound or a composition of the invention.

Isosteric analogs of lenalidomide and pomalidomide: Synthesis and biological activity

Ruchelman, Alexander L.,Man, Hon-Wah,Zhang, Weihong,Chen, Roger,Capone, Lori,Kang, Jian,Parton, Anastasia,Corral, Laura,Schafer, Peter H.,Babusis, Darius,Moghaddam, Mehran F.,Tang, Yang,Shirley, Michael A.,Muller, George W.

, p. 360 - 365 (2013/02/23)

A series of analogs of the immunomodulary drugs lenalidomide (1) and pomalidomide (2), in which the amino group is replaced with various isosteres, was prepared and assayed for immunomodulatory activity and activity against cancer cell lines. The 4-methyl and 4-chloro analogs 4 and 15, respectively, displayed potent inhibition of tumor necrosis factor-α (TNF-α) in LPS-stimulated hPBMC, potent stimulation of IL-2 in a human T cell co-stimulation assay, and anti-proliferative activity against the Namalwa lymphoma cell line. Both of these analogs displayed oral bioavailability in rat.

Photochemical nitration by tetranitromethane. Part XXVI. Adduct formation in the photochemical reaction of 1,2,3-trimethylbenzene: The formation of 'double' adducts including nitronic esters

Butts, Craig P.,Eberson, Lennart,Hartshorn, Michael P.,Robinson, Ward T.,Timmerman-Vaughan, David J.,Young, Dawson A. W.

, p. 29 - 47 (2007/10/03)

The photolysis of the charge-transfer complex of 1,2,3-trimethylbenzene and tetranitromethane gives a complex mixture of products, most of which arise by initial attack of trinitromethanide ion on the unsubstituted ring positions at C4(C6) and C5 of the radical cation of 1,2,3-trimethylbenzene. The products 7-19 are adducts resulting directly or indirectly from the addition of the elements of tetranitromethane to 1,2,3-trimethylbenzene, and the trinitromethyl aromatic compounds 22-25 are formed by eliminations from intermediate adducts. Six adducts are simple 'single' adducts, nitro-trinitromethyl adducts 7, 8, 10-12, while nitro cycloadduct 9 is formed by cycloaddition of nitro-trinitromethyl adduct 8. The remaining addition products are 'double' adducts, formed by secondary addition reactions initiated by attack of nitrogen dioxide on the buta-1,3-diene system of 'single' adducts, and include trinitro-trinitromethyl compounds 13 and 15, the hydroxy-dinitro-trinitromethyl compound 14, and a group of four nitronic esters 16-19 formed by nitro-denitrocyclization of initially formed hydroxy-trinitromethyl and nitro-trinitromethyl 'single' adducts. Minor amounts of other products are formed including two nitrodienones 21 and 22, and the rearrangement product, 4,5,6-trimethyl-2-nitrophenol (28), and the 2,3,4-trimethyl- and 3,4,5-trimethylnitrobenzenes 26 and 27. The modes of formation of the above products are discussed, and X-ray crystal structure determinations are reported for compounds 9, 13, 14, 18, 19, 22 and 29. Acta Chemica Scandinavica 1996.

Hydrocarbures arylaliphatiques. Partie VIII. Etude cinetique de la protodesilylation de benzocyclenes tricycliques

Gruber, Rene,Kirsch, Gilbert,Cagniant, Denise

, p. 498 - 504 (2007/10/02)

A kinetic study of the protodesilylation of silylated derivatives of hemimellitene, 2a,3,4,5 tetrahydro acenaphthene and 1H 2,2a,3,4,5,6 hexahydro benzo(c,d)azulene is described.These results complete those published previously and which are related to the influence of the ring size of alicyclic systems pericondensed to a benzene nucleus on the reactivity of the nucleus to acetylation or bromination.The silylated derivatives were prepared from the corresponding bromo compounds.The synthesis of the bromo compounds, some of which were described in an earlier study, is completed here by using a synthetic pathway which allows the preparation of the β isomers starting from the ortho bromo derivatives.The kinetic results show a deactivation of the β position of the hemimellitene.A little deactivation of ortho α position of the five membered ring in the tricyclic compounds is also observed.This last result, significant in the case of bromination, seems to be related to the Mills-Nixon effect and can be explained by using Streitwieser's hybridization for the ? skeleton.

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