2,5-Dimethylresorcinol

Base Information

• Chemical Name: 2,5-Dimethylresorcinol
• CAS No.: 488-87-9
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 2907 29 00
• European Community (EC) Number: 207-688-3
• UNII: C7UIY640OR
• DSSTox Substance ID: DTXSID90197610
• Nikkaji Number: J6.036D
• Wikidata: Q75064028
• Metabolomics Workbench ID: 117560
• ChEMBL ID: CHEMBL2332779
• Mol file: 488-87-9.mol

Synonyms:2,5-Dimethylresorcinol;488-87-9;2,5-dimethylbenzene-1,3-diol;1,3-benzenediol, 2,5-dimethyl-;beta-orcinol;2,5-dimethylresorcin;C7UIY640OR;2,5-Dimethyl-benzene-1,3-diol;EINECS 207-688-3;MFCD00134473;p-Xylene-2,6-diol;2,5-dimethyl-1,3-benzenediol;P-XYLORCINOL;.BETA.-ORCINOL;2,5-Dimethyl resorcinol;UNII-C7UIY640OR;SCHEMBL69718;2,5-Dimethylresorcinol, 95%;CHEMBL2332779;DTXSID90197610;CHEBI:144125;RESORCINOL, 2,5-DIMETHYL-;1,3-Dihydroxy-2,5-dimethylbenzene;1,3-Dihydroxy-2,5-dimethyl benzene;AKOS015890274;CS-W013326;BP-11469;LS-04979;2,5-DIMETHYL-1,3-DIHYDROXYBENZENE;D2748;FT-0610480;D77747

Chemical Property of 2,5-Dimethylresorcinol

Chemical Property:

• Appearance/Colour: white to tan powder
• Vapor Pressure: 0.00178mmHg at 25°C
• Melting Point: 157-162 °C(lit.)
• Refractive Index: 1.582
• Boiling Point: 284.1 °C at 760 mmHg
• PKA: 9.91±0.15(Predicted)
• Flash Point: 140.8 °C
• PSA: 40.46000
• Density: 1.162 g/cm³
• LogP: 1.71460
• Storage Temp.: Store below +30°C.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,5-Dimethylresorcinol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,5-Dimethylresorcinol

There total 51 articles about 2,5-Dimethylresorcinol 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: 88.0%

1,3-dimethoxy-2,5-dimethylbenzene (21390-25-0) → 2,5-dimethyl-1,3-benzenediol (488-87-9)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 1.16667h; Inert atmosphere;

DOI:10.1002/cmdc.201900548

Reference yield: 40.0%

atranol (526-37-4) → 2,5-dimethyl-1,3-benzenediol (488-87-9)

Guidance literature:

With hydrogenchloride; sodium cyanoborohydride; In tetrahydrofuran; water; at 20 ℃; for 3h;

Reference yield:

3-hydroxy-2-(3-hydroxy-2,5-dimethyl-phenoxy)-5-methoxy-4-methyl-benzoic acid → 2,5-dimethyl-1,3-benzenediol (488-87-9) + 3,5-dihydroxy-4-methylbenzoic acid (28026-96-2)

Guidance literature:

at 250 - 300 ℃;

upstream raw materials:

methanol

4-(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid

ethanol

barbatic acid

Downstream raw materials:

2,4-dihydroxy-3,6-dimethylbenzaldehyde

1-nitroso-2,4-dihydroxy-3,6-dimethylbenzene

C₆₀H₇₄O₁₀

C₆₈H₉₀O₁₀

Refernces

• 1、 Patel, Nipul,O’Malley, Theresa,Zhang, Yong-Kang,Xia, Yi,Sunde, Bjorn,Flint, Lindsay,Korkegian, Aaron,Ioerger, Thomas R.,Sacchettini, Jim,Alley,Parish, Tanya. "A novel 6-benzyl ether benzoxaborole is active against mycobacterium tuberculosis in vitro". supporting information. . Retrieved 2017/09/01.
• 2、 -. "PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS". . . Retrieved 2010/03/02.