4-Hexyloxyphenol

Base Information

• Chemical Name: 4-Hexyloxyphenol
• CAS No.: 18979-55-0
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• Hs Code.: 29095000
• European Community (EC) Number: 242-713-1
• UNII: 35IMS9L1FE
• DSSTox Substance ID: DTXSID4048195
• Nikkaji Number: J27.313I
• Wikidata: Q27116047
• ChEMBL ID: CHEMBL225563
• Mol file: 18979-55-0.mol

Synonyms:4-(HEXYLOXY)PHENOL;4-Hexyloxyphenol;18979-55-0;Phenol, 4-(hexyloxy)-;4-n-Hexyloxyphenol;4-hexoxyphenol;p-Hexyloxyphenol;UNII-35IMS9L1FE;Hydroquinone Monohexyl Ether;35IMS9L1FE;DTXSID4048195;CHEBI:34407;EINECS 242-713-1;P-HEXOXYPHENOL;4-N-HEXOXYPHENOL;4-(HEXYLOXY)BENZOLOL;4-(Hexyloxy)phenol, 99%;SCHEMBL270164;CHEMBL225563;PHENOL, P-(HEXYLOXY)-;DTXCID9028170;Tox21_303471;MFCD00002337;AKOS003382511;CS-W010645;NCGC00257244-01;CAS-18979-55-0;FT-0618585;H0439;D90871;EN300-7403785;12N-116;A813360;W-107742;Q27116047

Chemical Property of 4-Hexyloxyphenol

Chemical Property:

• Appearance/Colour: Slightly brown solid.
• Vapor Pressure: 0.000345mmHg at 25°C
• Melting Point: 45-47 °C(lit.)
• Refractive Index: 1.508
• Boiling Point: 309.687 °C at 760 mmHg
• PKA: 10.36±0.15(Predicted)
• Flash Point: 140.871 °C
• PSA: 29.46000
• Density: 0.999 g/cm³
• LogP: 3.35130
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: within almost transparency in Methanol
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 128

Purity/Quality:

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

4-(Hexyloxy)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, Xi
• Hazard Codes: Xn,N,Xi
• Statements: 22-36/37/38-51/53
• Safety Statements: 26-36-61-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)O
• Uses: Intermediates of Liquid Crystals

Technology Process of 4-Hexyloxyphenol

There total 23 articles about 4-Hexyloxyphenol 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: 85.0%

4-(hexyloxy)benzaldehyde (5736-94-7) → 4-(hexyloxy)phenol (18979-55-0)

Guidance literature:

4-(hexyloxy)benzaldehyde; With dihydrogen peroxide;

With sodium hydroxide;

DOI:10.1002/anie.201903791

Reference yield: 82.6%

1-bromo-hexane (111-25-1) + hydroquinone (123-31-9,8027-02-9) → 4-(hexyloxy)phenol (18979-55-0)

Guidance literature:

With potassium carbonate; In ethanol; at 90 ℃; for 24h;

DOI:10.1039/c6dt04502b

Reference yield: 82.0%

1,4-Cyclohexanedione (637-88-7) + hexan-1-ol (111-27-3) → 1,4-dihexyloxybenzene (67399-93-3) + 4-(hexyloxy)phenol (18979-55-0)

Guidance literature:

With oct-1-ene; 5%-palladium/activated carbon; at 150 ℃; for 60h; Sealed tube; Inert atmosphere;

DOI:10.1002/ejoc.201300485

upstream raw materials:

4-methylbenzenesulfonic acid n-hexylester

sodium 4-hydroxybenzen-1-olate

1-bromo-hexane

sodium methylate

Downstream raw materials:

4-(4-n-pentylphenyl)-benzoic acid 4'-n-hexyloxyphenyl ester

trans-1,4-(4'-n-Hexyloxyphenyl)cyclohexandicarboxylat

Benzene-1,2,4-tricarboxylic acid tris-(4-hexyloxy-phenyl) ester

4-hexyloxyphenyl 4-(benzyloxy) benzoate

Refernces

• 1、 Shibuya, Yushin,Nakagawa, Naoki,Miyagawa, Naoki,Suzuki, Toyoko,Okano, Kentaro,Mori, Atsunori. "Unprecedented Regioregular Poly(1,4-arylene)s Prepared by Nickel(II)-Catalyzed Cross-Coupling Polymerization of 2,5-Disubstituted Bromo(chloro)arylene". . p. 9547 - 9550. Retrieved 2019/06/24.
• 2、 Zhang, Shilin,Luo, Kaijun,Geng, Hao,Ni, Hailiang,Wang, Haifeng,Li, Quan. "New phosphorescent platinum(ii) complexes with tetradentate C*N^N*C ligands: liquid crystallinity and polarized emission". . p. 899 - 906. Retrieved 2017/01/29.