2,4-Dimethylphenol

Base Information

• Chemical Name: 2,4-Dimethylphenol
• CAS No.: 105-67-9
• Molecular Formula: C8H10O
• Molecular Weight: 122.167
• Hs Code.: 29071400
• European Community (EC) Number: 203-321-6
• ICSC Number: 0458
• NSC Number: 3829
• UN Number: 2261,3082
• UNII: 5OD803C081
• DSSTox Substance ID: DTXSID2021864
• Nikkaji Number: J3.606D
• Wikidata: Q2437536
• Metabolomics Workbench ID: 130086
• ChEMBL ID: CHEMBL29878
• Mol file: 105-67-9.mol

Synonyms:2,4-dimethylphenol;2,4-dimethylphenol potassium;2,4-dimethylphenol sodium;2,4-dimethylphenol titanium (+4);2,4-DMP;2,4-xylenol

Chemical Property of 2,4-Dimethylphenol

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.093mmHg at 25°C
• Melting Point: 22-23 ºC
• Refractive Index: n20/D 1.538(lit.)
• Boiling Point: 210.9 ºC at 760 mmHg
• Flash Point: 85.6 ºC
• PSA: 20.23000
• Density: 1.014 g/cm³
• LogP: 2.00900
• Water Solubility.: 0.5 g/100 mL (25℃)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.073164938
• Heavy Atom Count: 9
• Complexity: 90.6
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T,N,F
• Hazard Codes: T:Toxic;;
• Statements: R24/25:; R34:; R51/53:
• Safety Statements: S26:; S36/37/39:; S45:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC1=CC(=C(C=C1)O)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the skin, respiratory tract and eyes. Corrosive on ingestion. Inhalation of the aerosol may cause lung oedema.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization.
• Use Description: 2,4-Xylenol, a specific chemical compound, serves distinct roles in various fields. In the realm of industrial chemistry, it plays a significant role as a precursor in the synthesis of antioxidants, resins, and specialty chemicals used in various applications, contributing to the enhancement of product stability and performance. In the field of disinfection and sanitation, 2,4-xylenol is utilized as an antimicrobial agent in cleaning products and disinfectants, aiding in the elimination of bacteria and pathogens from surfaces. Moreover, in the fragrance and flavor industries, this compound can serve as a raw material for the creation of scents and flavors that find application in a wide range of products. Its applications in industrial chemistry, disinfection, and fragrances underscore its importance in improving product properties, ensuring hygiene, and enhancing sensory experiences within these distinct domains.

Technology Process of 2,4-Dimethylphenol

There total 155 articles about 2,4-Dimethylphenol 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: 78.0%

m-xylene (108-38-3,104809-90-7) → 2.6-dimethylphenol (576-26-1,25134-01-4) + 2,4-Xylenol (105-67-9)

Guidance literature:

m-xylene; With spiro[bicyclo[2.2.1]heptane-2,4′-[1,2]dioxolane]-3′,5′-dione; at 40 ℃; for 84h; Sealed tube;

With methylamine; In ethanol;

DOI:10.1021/acs.joc.8b01392

Reference yield: 65.0%

sodium[tetrakis(2,4-dimethylphenyloxy)borate] → 2,2'-dihydroxy-3,3',5,5'-tetramethylbiphenyl (26567-10-2) + 2,4-Xylenol (105-67-9)

Guidance literature:

sodium[tetrakis(2,4-dimethylphenyloxy)borate]; In N,N-dimethyl-formamide; at 20 ℃; Electrolysis;

With citric acid; In water; N,N-dimethyl-formamide; for 0.0833333h;

DOI:10.1002/chem.200600375

Reference yield: 24.0%

sodium[tetrakis(2,4-dimethylphenyloxy)borate] → Pummerer's ketone + 2,2'-dihydroxy-3,3',5,5'-tetramethylbiphenyl (26567-10-2) + 2,4-Xylenol (105-67-9)

Guidance literature:

sodium[tetrakis(2,4-dimethylphenyloxy)borate]; In acetonitrile; at 20 ℃; Electrolysis;

With citric acid; In water; acetonitrile; for 0.0833333h;

DOI:10.1002/chem.200600375

upstream raw materials:

2,4-dimethylquinoline

2,4-dimethylphenyl azide

1,2,4-Trimethylbenzene

2,4-dimethyl-6-tert-butylphenol

Downstream raw materials:

2,4-dimethyl-6-(piperidine-1-yl-methyl)phenol

butyric acid-(2,4-dimethyl-phenyl ester)

4-(2-Hydroxy-3,5-dimethylphenyl)-4-oxobutanoic Acid

2,4-Dimethylphenyl Hydrogen Succinate

Refernces

• 1、 Lindhorst, Anja C.,Schütz, Jan,Netscher, Thomas,Bonrath, Werner,Kühn, Fritz E.. "Catalytic oxidation of aromatic hydrocarbons by a molecular iron-NHC complex". . p. 1902 - 1911. Retrieved 2017.
• 2、 Zhang, Dongsheng,Gao, Liya,Xue, Wei,Zhao, Xinqiang,Wang, Shufang,Wang, Yanji. "One-pot synthesis of phenols by hydroxylation of aromatics with hydroxylamine". . p. 369 - 371. Retrieved 2012.
• 3、 Thibblin. "The role of ion-molecule pair intermediates in acid-catalyzed solvolysis. General base-catalyzed formation of 4-methylbenzyl carbocation and its trapping by nucleophiles". . p. 7427 - 7433. Retrieved 1993.
• 4、 Khodaei, Mohammad Mehdi,Alizadeh, Abdolhamid,Hezarkhani, Hadis Afshar. "Synthesis of substituted phenols via hydroxylation of arenes using hydrogen peroxide in the presence of hexaphenyloxodiphosphonium triflate". . p. 878 - 882. Retrieved 2018.
• 5、 Ogata, Yoshiro,Tomizawa, Kohtaro. "Photoinduced Decomposition of Peracetic Acid in Xylenes. Orientation in Aromatic Substitution of Methyl and Hydroxyl Radicals". . p. 785 - 788. Retrieved 1980.
• 6、 Kwong, Hoi-Ki,Lo, Po-Kam,Yiu, Shek-Man,Hirao, Hajime,Lau, Kai-Chung,Lau, Tai-Chu. "Highly Selective and Efficient Ring Hydroxylation of Alkylbenzenes with Hydrogen Peroxide and an Osmium(VI) Nitrido Catalyst". . p. 12260 - 12263. Retrieved 2017.
• 7、 Ranga, Chanakya,Alexiadis, Vaios I.,Lauwaert, Jeroen,L?deng, Rune,Thybaut, Joris W.. "Effect of Co incorporation and support selection on deoxygenation selectivity and stability of (Co)Mo catalysts in anisole HDO". . p. 61 - 70. Retrieved 2019.
• 8、 Franck-Neumann, Michel,Geoffroy, Philippe,Gassmann, Dominique. "Synthesis of mono- and polycyclic tricarbonyliron cyclohexa-2,4-dienone complexes and phenols from tosylhydrazones of acyclic dienone complexes". . p. 2054 - 2058. Retrieved 2002.
• 9、 Kumar, S.,Murray, R. W.. "Carbonyl Oxide Chemistry. The NIH Shift". . p. 1040 - 1045. Retrieved 1984.
• 10、 Gassmann,Amick. "-". . p. 889. Retrieved 1974.