4-Cyclohexylresorcinol

Base Information

• Chemical Name: 4-Cyclohexylresorcinol
• CAS No.: 2138-20-7
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• Hs Code.: 2907299090
• European Community (EC) Number: 218-380-3
• NSC Number: 59847
• DSSTox Substance ID: DTXSID00175641
• Nikkaji Number: J92.410E
• Wikidata: Q83045984
• Mol file: 2138-20-7.mol

Synonyms:4-Cyclohexylresorcinol;2138-20-7;4-cyclohexylbenzene-1,3-diol;4-cyclohexyl-benzene-1,3-diol;1,3-Benzenediol, 4-cyclohexyl-;MFCD00019336;4-Cyclohexyl-1,3-benzenediol;NSC59847;1, 4-cyclohexyl-;SCHEMBL70722;DTXSID00175641;4-Cyclohexyl-1,3-benzenediol #;EINECS 218-380-3;NSC 59847;NSC-59847;AKOS006228297;FT-0618321

Chemical Property of 4-Cyclohexylresorcinol

Chemical Property:

• Vapor Pressure: 2.09E-05mmHg at 25°C
• Melting Point: 124 °C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 351°Cat760mmHg
• PKA: 9.99±0.18(Predicted)
• Flash Point: 170.6°C
• PSA: 40.46000
• Density: 1.147g/cm³
• LogP: 3.14550
• Water Solubility.: 499.8mg/L(25 oC)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

4-Cyclohexylresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=C(C=C(C=C2)O)O

Technology Process of 4-Cyclohexylresorcinol

There total 9 articles about 4-Cyclohexylresorcinol 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: 44.0%

recorcinol (108-46-3) → 4-cyclohexylresorcinol (2138-20-7)

Guidance literature:

In PPA; cyclohexanol;

Reference yield: 40.2%

cyclohexene (110-83-8) + recorcinol (108-46-3) → 2-cyclohexyl-1,3-dihydroxybenzene (30311-98-9) + 4-cyclohexylresorcinol (2138-20-7) + resorcinol cyclohexyl ether (118163-40-9) + 2,4-dicyclohexyl-1,3-dihydroxybenzene (118163-41-0) + 4,6-dicyclohexyl-1,3-dihydroxybenzene (85586-52-3)

Guidance literature:

With aluminium(III) phenoxide; at 220 ℃; for 5h; Product distribution; var. ratio of reaction partners, var. temp., var. time;

Reference yield:

cyclohexanol (108-93-0) + recorcinol (108-46-3) → 4-cyclohexylresorcinol (2138-20-7)

Guidance literature:

With phosphoric acid; at 140 ℃;

DOI:10.1021/ja01870a053

upstream raw materials:

2,4-dichloro-6-cyclohexyl-resorcinol

cyclohexanol

recorcinol

cyclohexyl chloride

Downstream raw materials:

5-cyclohexyl-2,4-dihydroxy-deoxybenzoin

3-cyclohexyl-2,6-dihydroxy-deoxybenzoin

5-cyclohexyl-2,4-dihydroxy-benzophenone

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

Refernces

• 1、 -. "Abnormal Cannabidiols as agents for lowering intraocular pressure". Page/Page column 8. . Retrieved 2008/06/13.
• 2、 -. "Resorcinol derivatives". . . Retrieved 2008/06/13.