ChemicalBook--->CAS DataBase List--->632-46-2

632-46-2

632-46-2 Structure

632-46-2 Structure
IdentificationMore
[Name]

2,6-Dimethylbenzoic acid
[CAS]

632-46-2
[Synonyms]

2,6-DIMETHYLBENZOIC ACID
M-XYLENE-2-CARBOXYLIC ACID
RARECHEM AL BO 0401
TIMTEC-BB SBB007881
VIC-M-XYLYLIC ACID
2,6-dimethyl-benzoicaci
Benzoic acid, 2,6-dimethyl-(7CI,8CI,9CI)
Benzoic acid, 2,6-dimethyl-
2,6-Dimethylbenzoic acid, 98+%
[EINECS(EC#)]

211-177-0
[Molecular Formula]

C9H10O2
[MDL Number]

MFCD00002483
[Molecular Weight]

150.17
[MOL File]

632-46-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to pale cream crystalline powder
[Melting point ]

114-116 °C (lit.)
[Boiling point ]

160 °C / 17mmHg
[density ]

1.0937 (estimate)
[refractive index ]

1.5236 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

pKa: 3.362(25°C)
[color ]

White to pale cream
[Detection Methods]

HPLC
[BRN ]

1863791
[InChI]

InChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
[InChIKey]

HCBHQDKBSKYGCK-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=C(C)C=CC=C1C
[LogP]

2.210
[CAS DataBase Reference]

632-46-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 2,6-dimethyl-(632-46-2)
Questions And AnswerBack Directory
[Synthesis]

At room temperature, 2,6-dimethylphenylboronic acid (150 mg), KOMe (2.0 equivalent), and catalyst [(IPr)CuCl] (14.4 mg, 3.0 mol%) were stirred for 5-10 minutes under a nitrogen atmosphere. The reaction tube was filled with carbon dioxide by applying vacuum and CO2 purging for 4-5 cycles. The reaction tube was sealed, and the reaction was stirred at 70°C for 24 hours. The reaction mixture was then carefully quenched by adding 2.0 M hydrochloric acid aqueous solution. The reaction mixture was diluted with water, extracted three times with ethyl acetate, and the combined organic phases were washed with brine. The organic phases were dried on anhydrous sodium sulfate, filtered, and the solvent was removed under reduced pressure. The product was then separated and purified by silica gel column chromatography to obtain the target product molecule, 2,6-dimethylbenzoic acid.


Synthetic Route of 2,6-Dimethylbenzoic Acid

Figure 2,6-Dimethylbenzoic Acid Synthetic Route

Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

DG8734010
[HS Code ]

29163900
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,6-Dimethylbenzoic acid(632-46-2).msds
Hazard InformationBack Directory
[Chemical Properties]

white to pale cream crystalline powder
[Uses]

2,6-Dimethylbenzoic acid is a benzoic acid derivative used in the preparation of antiinflammatory and antirheumatic agents. And it is also a potential geothermal tracer.
[Definition]

ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 6.
[Synthesis Reference(s)]

Tetrahedron, 36, p. 2409, 1980 DOI: 10.1016/0040-4020(80)80219-5
[General Description]

Crystal structure of 2,6-dimethylbenzoic acid was studied by three-dimensional X-ray methods.
[Purification Methods]

Steam distil the acid, and crystallise it from EtOH or H2O (m 116.3-116.7o). The N-dimethylamide has m 62-63o (from Et2O). [Beilstein 9 H 531, 9 IV 1798.]
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Dimethylbenzoic acid(632-46-2)MS
2,6-Dimethylbenzoic acid(632-46-2)1HNMR
2,6-Dimethylbenzoic acid(632-46-2)13CNMR
2,6-Dimethylbenzoic acid(632-46-2)IR1
2,6-Dimethylbenzoic acid(632-46-2)IR2
2,6-Dimethylbenzoic acid(632-46-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,6-Dimethylbenzoic acid, 99%(632-46-2)
[Alfa Aesar]

2,6-Dimethylbenzoic acid, 98+%(632-46-2)
[Sigma Aldrich]

632-46-2(sigmaaldrich)
[TCI AMERICA]

2,6-Dimethylbenzoic Acid,>98.0%(T)(632-46-2)
632-46-2 suppliers list
Company Name: Qingdao Haizhi Weiyuan Biotechnology Co., Ltd.  Gold
Telephone: 18317699790 18317699790
Website:
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: New Energy Chemicals  
Telephone: 0515-82159099 13770142076
Website: http://www.njuchem.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Longsheng chemical Co.,Ltd.  
Telephone: 58099637 13585536065
Website: www.shlshg.com
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Chemsky (shanghai) International Co.,Ltd  
Telephone: 021-50135380
Website: www.shchemsky.com
Company Name: XiaoGan ShenYuan ChemPharm co,ltd  
Telephone: 15527621225; 15527621225
Website: http://www.farchem.com/
Tags:632-46-2 Related Product Information
50419-58-4 610-72-0 632-46-2 480-63-7 2282-84-0 1754-55-8 36362-97-7 24821-22-5 49623-71-4 112410-23-8 619-04-5 21553-46-8 38404-42-1 611-01-8 603-79-2 4919-37-3 97888-80-7 14438-32-5