4-Methylresorcinol

Base Information

• Chemical Name: 4-Methylresorcinol
• CAS No.: 496-73-1
• Deprecated CAS: 102193-18-0
• Molecular Formula: C7H8O2
• Molecular Weight: 124.139
• Hs Code.: 2907290090
• European Community (EC) Number: 207-827-8
• DSSTox Substance ID: DTXSID2060092
• Nikkaji Number: J6.097F
• Wikidata: Q9549694
• ChEMBL ID: CHEMBL3828450
• Mol file: 496-73-1.mol

Synonyms:4-methylbenzene-1,3-diol;4-METHYLRESORCINOL;496-73-1;2,4-Dihydroxytoluene;1,3-Benzenediol, 4-methyl-;MFCD00016452;CHEMBL3828450;EINECS 207-827-8;2,4-Dihydroxyphenylmethane;4-Methyl-1,3-benzenediol;2,4-Dihydroxy-toluene;4-Methylresorcinol, 97%;SCHEMBL63180;ghl.PD_Mitscher_leg0.301;DTXSID2060092;AMY38375;BDBM50187504;AKOS015890686;CS-W005468;GS-3775;SY110464;FT-0632229;M2248;A827790

Chemical Property of 4-Methylresorcinol

Chemical Property:

• Vapor Pressure: 0.00609mmHg at 25°C
• Melting Point: 104-108 °C
• Refractive Index: 1.594
• Boiling Point: 264 °C at 760 mmHg
• PKA: 10.05±0.18(Predicted)
• Flash Point: 130.1 °C
• PSA: 40.46000
• Density: 1.21 g/cm³
• LogP: 1.40620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 124.052429494
• Heavy Atom Count: 9
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

4-Methylbenzene-1,3-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Methylresorcinol

There total 45 articles about 4-Methylresorcinol 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: 94.0%

2,4-dimethoxytoluene (38064-90-3) → 4-methyl resorcinol (496-73-1,73073-80-0)

Guidance literature:

With boron tribromide; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethyl acetate; pentane;

Reference yield: 78.0%

p-cresol (106-44-5) → 4-methyl resorcinol (496-73-1,73073-80-0)

Guidance literature:

With hydrogen fluoride; dihydrogen peroxide; antimony pentafluoride; at -40 ℃; for 0.5h;

DOI:10.1039/c39800001128

Reference yield: 22.0%

p-cresol (106-44-5) → 4-methyl resorcinol (496-73-1,73073-80-0) + 4-methyl-2-nitrophenol (119-33-5) + 4-methyl-1,2-dihydroxybenzene (452-86-8)

Guidance literature:

With ammonium cerium(IV) nitrate; dihydrogen peroxide; sodium dodecyl-sulfate; In acetic acid; for 48h; Ambient temperature;

DOI:10.1016/S0040-4020(01)85902-0

upstream raw materials:

2,4-dimethoxytoluene

3-Acetoxy-4-methyl-phenol

toluene-2,4-disulfonic acid

4-methylresorcinol diacetate

Downstream raw materials:

2',7'-dimethylfluorescein

2,4-dihydroxy-5-methylbenzaldehyde

7-hydroxy-6-methyl-4-phenyl-coumarin

4-methyl-cyclohexane-1,3-dione