2,4-Dihydroxy-6-methylbenzaldehyde

Base Information

• Chemical Name: 2,4-Dihydroxy-6-methylbenzaldehyde
• CAS No.: 487-69-4
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 2912499000
• European Community (EC) Number: 624-460-2
• NSC Number: 72346
• UNII: 15U7JE2JVK
• DSSTox Substance ID: DTXSID70291004
• Nikkaji Number: J11.659I
• Wikipedia: Orsellinaldehyde
• Wikidata: Q27251742
• Metabolomics Workbench ID: 101984
• Mol file: 487-69-4.mol

Synonyms:o-orsellinaldehyde

Chemical Property of 2,4-Dihydroxy-6-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000154mmHg at 25°C
• Melting Point: 180-184oC
• Boiling Point: 321.9°Cat760mmHg
• PKA: 7.69±0.23(Predicted)
• Flash Point: 162.7°C
• PSA: 57.53000
• Density: 1.331g/cm³
• LogP: 1.21870
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dihydroxy-6-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4-Dihydroxy-6-methylbenzaldehyde

There total 16 articles about 2,4-Dihydroxy-6-methylbenzaldehyde 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: 98.0%

orcinol (504-15-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,4-dihydroxy-6-methylbenzaldehyde (487-69-4)

Guidance literature:

orcinol; N,N-dimethyl-formamide; With trichlorophosphate;

With sodium hydroxide;

DOI:10.1021/ol030109m

Reference yield: 95.0%

orcinol (504-15-4) → 2,4-dihydroxy-6-methylbenzaldehyde (487-69-4)

Guidance literature:

With hydrogenchloride; aluminium trichloride; dicyanozinc; In diethyl ether; for 2h;

DOI:10.1016/0957-4166(90)90013-Z

Reference yield: 92.0%

orcinol (504-15-4) + dicyanozinc (557-21-1) → 2,4-dihydroxy-6-methylbenzaldehyde (487-69-4)

Guidance literature:

orcinol; dicyanozinc; With hydrogenchloride; aluminium trichloride; at 0 ℃; for 3h;

With water; at 0 - 100 ℃; for 0.5h;

DOI:10.1002/(SICI)1521-3773(19991115)38:22<3334::AID-ANIE3334>3.0.CO;2-H

upstream raw materials:

orcinol

formaldehyd

hydrogen cyanide

mercury fulminate

Downstream raw materials:

4-((Z)-2,4-dihydroxy-6-methyl-benzylidene)-2-phenyl-4H-oxazol-5-one

2,4-Diformyl-3,5-dihydroxytoluol

4,6-dihydroxy-2-methyl-isophthalaldehyde

7-hydroxy-5-methyl-3-phenyl-coumarin

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