4-Propoxyphenol

Base Information

• Chemical Name: 4-Propoxyphenol
• CAS No.: 18979-50-5
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 29071990
• European Community (EC) Number: 679-814-9
• NSC Number: 82358
• UNII: ZJ9EF57C3B
• DSSTox Substance ID: DTXSID6066442
• Nikkaji Number: J27.314G
• Wikidata: Q63409285
• ChEMBL ID: CHEMBL225183
• Mol file: 18979-50-5.mol

Synonyms:4-PROPOXYPHENOL;18979-50-5;Phenol, 4-propoxy-;4-n-Propoxyphenol;p-Propoxyphenol;Phenol, p-propoxy-;4-Propyloxyphenol;Hydroquinone monopropyl ether;p-Propoxy phenol;ZJ9EF57C3B;MFCD00002335;NSC 82358;NSC-82358;4-propoxy phenol;4-Propoxy-phenol;NSC82358;PARA-PROPOXYPHENOL;UNII-ZJ9EF57C3B;SCHEMBL56796;CHEMBL225183;DTXSID6066442;BBL013152;STK081310;AKOS000120776;GS-6662;SY036399;CS-0000196;FT-0619435;P0955;EN300-17908;D70163;A813358;J-012247;Q63409285;F0001-0684

Chemical Property of 4-Propoxyphenol

Chemical Property:

• Appearance/Colour: Beige crystalline powder
• Vapor Pressure: 0.00684mmHg at 25°C
• Melting Point: 54-56 °C(lit.)
• Refractive Index: 1.52
• Boiling Point: 262.1 °C at 760 mmHg
• PKA: 10.34±0.15(Predicted)
• Flash Point: 128 °C
• PSA: 29.46000
• Density: 1.05 g/cm³
• LogP: 2.18100
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

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

4-Propoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)O
• Uses: Intermediates of Liquid Crystals

Technology Process of 4-Propoxyphenol

There total 16 articles about 4-Propoxyphenol 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: 92.0%

1-methoxy-4-((4-propoxyphenoxy)methyl)benzene (1467782-94-0) → 4-propoxyphenol (18979-50-5)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; at 20 ℃; for 0.333333h;

DOI:10.1039/c3ra42113a

Reference yield: 85.0%

propoxybenzene (622-85-5) → 4-propoxyphenol (18979-50-5)

Guidance literature:

With dirhodium tetraacetate; [bis(acetoxy)iodo]benzene; trifluoroacetic anhydride; at 80 ℃; for 1h;

Reference yield: 80.2%

4-n-propoxyphenyl benzyl ether (258513-95-0) → 4-propoxyphenol (18979-50-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; under 760 Torr;

DOI:10.1016/S0223-5234(99)00114-2

upstream raw materials:

propyl bromide

hydroquinone

1-Chloropropane

[4-(1-phenyl-ethyl)-phenyl]-propyl ether

Downstream raw materials:

(E)-3-(4-Octyloxy-phenyl)-acrylic acid 4-propoxy-phenyl ester

(E)-3-(4-Decyloxy-phenyl)-acrylic acid 4-propoxy-phenyl ester

(E)-3-(4-Dodecyloxy-phenyl)-acrylic acid 4-propoxy-phenyl ester

(E)-3-(4-Tetradecyloxy-phenyl)-acrylic acid 4-propoxy-phenyl ester

Refernces

• 1、 Zhu, Runqing,Sun, Qianqian,Li, Jing,Li, Luohao,Gao, Qinghe,Wang, Yakun,Fang, Lizhen. "Para -Selective hydroxylation of alkyl aryl ethers". supporting information. p. 13190 - 13193. Retrieved 2021/12/16.
• 2、 Mondal, Rina,Guha, Chayan,Mallik, Asok K.. "Facile conversion of para-benzoquinones to para-alkoxyphenols with primary/secondary alcohols and amberlyst-15: A process showing novel reducing property of such alcohols". supporting information. p. 86 - 89. Retrieved 2014/01/06.