2-Methylresorcinol

Base Information

• Chemical Name: 2-Methylresorcinol
• CAS No.: 608-25-3
• Molecular Formula: C7H8O2
• Molecular Weight: 124.139
• Hs Code.: 2907.11
• European Community (EC) Number: 210-155-8
• NSC Number: 66524
• UNII: 32W7044A3T
• DSSTox Substance ID: DTXSID0025571
• Nikkaji Number: J71.615D
• Wikidata: Q9549707
• ChEMBL ID: CHEMBL2332773
• Mol file: 608-25-3.mol

Synonyms:Resorcinol,2-methyl- (7CI,8CI);1,3-Dihydroxy-2-methylbenzene;2,6-Dihydroxytoluene;2-Methyl-1,3-benzenediol;2-Methyl-1,3-dihydroxybenzene;2-Methylresorcin;1,3-Benzenediol,2-methyl-;Toluene-2,6-diol;

Chemical Property of 2-Methylresorcinol

Chemical Property:

• Appearance/Colour: White to off-white crystal powder
• Vapor Pressure: 0.00201mmHg at 25°C
• Melting Point: 114-120 °C(lit.)
• Refractive Index: 1.594
• Boiling Point: 282.1 °C at 760 mmHg
• PKA: pK1:10.05;pK2:11.64 (25°C,μ=0.65)
• Flash Point: 142.9 °C
• PSA: 40.46000
• Density: 1.21 g/cm³
• LogP: 1.40620
• Storage Temp.: Store below +30°C.
• Solubility.: 263g/l
• Water Solubility.: Soluble in water and methanol.
• 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: 82.9

Purity/Quality:

99%, ^*data from raw suppliers

2-Methyl resorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C
• Hazard Codes: T,C
• Statements: 25-36/37/38-34-20/21/22
• Safety Statements: 26-36-45-37/39-28A-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC1=C(C=CC=C1O)O
• Uses: 2-Methylresorcinol is used in the preparation of aromatic benziporphyrins, tripyrrane analogs and C-5-bromo-2-hydroxyphenylcalix[4]-2-methylresorcinarene. Further, it is employed in oxidative and non-oxidative hair dye formulations.

Technology Process of 2-Methylresorcinol

There total 29 articles about 2-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: 98.9%

3,5-diamino-4-methylbenzoic acid (6633-36-9) → 2-methylbenzene-1,3-diol (608-25-3)

Guidance literature:

3,5-diamino-4-methylbenzoic acid; With sulfuric acid; zinc(II) chloride; sodium nitrite; In water; at 2 ℃; for 5h;

With sulfuric acid; sodium hydroxide; In water; for 1.75h; Reflux;

Reference yield: 92.0%

2-methylcyclohexane-1,3-dione (1193-55-1) → 2-methylbenzene-1,3-diol (608-25-3)

Guidance literature:

With 5 mol% Pd/C; hydrogen; potassium carbonate; In N,N-dimethyl acetamide; at 150 ℃; for 20h; under 532.036 Torr;

DOI:10.1039/c5sc01044f

Reference yield: 67.0%

2,6-dichlorotoluene (118-69-4) → 2-methylbenzene-1,3-diol (608-25-3)

Guidance literature:

2,6-dichlorotoluene; With water; copper(l) chloride; sodium hydroxide; at 100 ℃; for 5h; Autoclave;

With hydrogenchloride; at 0 - 10 ℃; for 2h; pH=3 - 4; Temperature; Reagent/catalyst;

upstream raw materials:

3-methoxy-2-methylphenol

2,6-dihydroxybenzaldehyde

2,4-dihydroxy-3-methylbenzoic acid

methyl 2,4-dihydroxy-3-methylbenzoate

Downstream raw materials:

7-hydroxy-8-methyl-2H-chromen-2-one

1-(2,4-dihydroxy-3-methyl-phenyl)-2-methoxy-ethanone

2-hydroxy-3-methyl-1,4-benzoquinone

4,8-dimethyl-7-hydroxycoumarin

Refernces

• 1、 -. "Method for synthesizing 2,6-dihydroxytoluene by using waste acid". . . Retrieved 2021/08/07.
• 2、 -. "Synthesis method of 2,6-dihydroxytoluene". Paragraph 0041-0046; 0050-0052. . Retrieved 2021/11/27.