4-Ethylresorcinol

Base Information

• Chemical Name: 4-Ethylresorcinol
• CAS No.: 2896-60-8
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: DERIVATION
• European Community (EC) Number: 220-777-1
• NSC Number: 62013
• UNII: 8YE81T06D5
• DSSTox Substance ID: DTXSID5062689
• Nikkaji Number: J101.258D
• Wikidata: Q15726090
• Metabolomics Workbench ID: 128102
• ChEMBL ID: CHEMBL2332776
• Mol file: 2896-60-8.mol

Synonyms:4-ETHYLRESORCINOL;2896-60-8;4-ethylbenzene-1,3-diol;1,3-Benzenediol, 4-ethyl-;Resorcinol, 4-ethyl-;6-Ethylresorcinol;4-ETHYL RESORCINOL;1,3-Dihydroxy-4-ethylbenzene;2,4-Dihydroxy-1-ethylbenzene;MFCD00002283;4-ethyl-benzene-1,3-diol;UNII-8YE81T06D5;CHEMBL2332776;8YE81T06D5;EINECS 220-777-1;NSC 62013;NSC-62013;4-Ethyl-1,3-benzenediol;4-Ethyl-resorcinol;2,4-Dihydroxyethylbenzene;4-Ethylresorcinol, 98%;SCHEMBL40375;4-Ethyl-1,3-benzenediol #;DTXSID5062689;NSC62013;BDBM50187502;AKOS000121510;CS-W016498;HY-W015782;AM808232;AS-12565;SY049095;D0579;FT-0618426;EN300-21483;A819694;J-017337;J-515301;Q15726090;Z104499414;4-Isoxazolecarboxylic acid, 3-methyl-5-(4-nitrophenyl)-, ethyl ester

Chemical Property of 4-Ethylresorcinol

Chemical Property:

• Appearance/Colour: slightly beige crystalline powder
• Vapor Pressure: 0.00336mmHg at 25°C
• Melting Point: 95-98 °C
• Refractive Index: 1.578
• Boiling Point: 273.8 °C at 760 mmHg
• PKA: 10.06±0.10(Predicted)
• Flash Point: 134.4 °C
• PSA: 40.46000
• Density: 1.159 g/cm³
• LogP: 1.66020
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Solubility in methanol; almost transparency. Soluble in alcohol.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

4-Ethylresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=C(C=C1)O)O
• Uses: It is employed as an active pharmaceutical intermediate.

Technology Process of 4-Ethylresorcinol

There total 20 articles about 4-Ethylresorcinol 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: 91.7%

4-ethyl-1,3-di-O-propanoyl-resorcinol (960601-99-4) → 4-ethyl-3-O-propanoyl-resorcinol + 4-ethyl-1-O-propanoylresorcinol + 4-ethyl-1,3-benzenediol (2896-60-8)

Guidance literature:

With isopropyl alcohol; Candida antarctica lipase B; immobilized; In acetonitrile; for 1h; Title compound not separated from byproducts.;

DOI:10.1016/j.tetlet.2007.09.104

Reference yield: 80.0%

2',4'-dihydroxy-4-acetophenone (89-84-9) → 4-ethyl-1,3-benzenediol (2896-60-8)

Guidance literature:

With hydrogen; acetic acid; Ni-doped silica; In ethanol; water;

Reference yield: 17.0%

2',4'-dihydroxy-4-acetophenone (89-84-9) → 4-ethyl-1,3-benzenediol (2896-60-8) + 4,6-diethylresorcinol (52959-32-7) + recorcinol (108-46-3)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; In water; at 100 ℃; Product distribution;

upstream raw materials:

2',4'-dihydroxy-4-acetophenone

ethylbenzene

2,4-diacetylresorcinol

3'-ethyl-2',6'-dihydroxyacetophenone

Downstream raw materials:

2',7'-diethyl-3',6'-dihydroxy-spiro[phthalan-1,9'-xanthen]-3-one

5-ethyl-2,4-dihydroxy-benzaldehyde

1-(5-ethyl-2,4-dihydroxy-phenyl)-2,2,2-trifluoro-ethanone

1-(5-ethyl-2,4-dihydroxyphenyl)ethanone