4-Butylphenol

Base Information

• Chemical Name: 4-Butylphenol
• CAS No.: 1638-22-8
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 216-672-5
• NSC Number: 407848
• UNII: 22985E4F3Q
• DSSTox Substance ID: DTXSID3047425
• Nikkaji Number: J13.056G
• Wikidata: Q27116066
• Metabolomics Workbench ID: 123588
• ChEMBL ID: CHEMBL152295
• Mol file: 1638-22-8.mol

Synonyms:4-Butylphenol;4-n-Butylphenol;1638-22-8;p-Butylphenol;Phenol, 4-butyl-;p-Hydroxybutylbenzene;Phenol, p-butyl-;1-Hydroxy-4-n-butylbenzene;4-Butyl-phenol;p-n-Butylphenol;Phenol, p-butyl;NSC 407848;EINECS 216-672-5;BRN 2042120;AI3-22444;DTXSID3047425;UNII-22985E4F3Q;CHEBI:34437;22985E4F3Q;NSC-407848;4-TERT-BUTYL-D9-PHENOL-2,3,5,6-D4;4-N-Ethylphenol;MFCD00041750;C(CCC)c1ccc(O)cc1;1-(p-Hydroxyphenyl)butane;P-(N-BUTYL)PHENOL;4-Butylphenol, AldrichCPR;NCIOpen2_003739;WLN: QR D4;SCHEMBL20233;BIDD:ER0056;4-(BUT-1-YL)PHENOL;CHEMBL152295;DTXCID1027425;Tox21_302594;NSC407848;AKOS004908125;NCGC00256649-01;BS-42137;CAS-1638-22-8;LS-104123;B1026;BB 0304921;CS-0198782;FT-0617950;D88733;EN300-113954;A810516;W-107950;Q27116066;Z401573222

Chemical Property of 4-Butylphenol

Chemical Property:

• Appearance/Colour: Liquid.
• Vapor Pressure: 0.0176mmHg at 25°C
• Melting Point: 22 °C
• Refractive Index: 1.5170
• Boiling Point: 246.2 °C at 760 mmHg
• PKA: 10.11±0.13(Predicted)
• Flash Point: 121.5 °C
• PSA: 20.23000
• Density: 0.977 g/cm³
• LogP: 2.73480
• Water Solubility.: Not miscible with water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

97% ^*data from raw suppliers

4-Butylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C,Xn
• Statements: 20/21/22-36/37/38-41-34-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)O
• Uses: Intermediates of Liquid Crystals 4-n-Butylphenol is used as an Intermediates of liquid Crystals.

Technology Process of 4-Butylphenol

There total 29 articles about 4-Butylphenol 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: 95.0%

1-bromo-butane (109-65-9) + p-Iodophenol (540-38-5) → 4-n-butylphenol (1638-22-8)

Guidance literature:

With triethanolamine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; [Ni(2,2′:6′,2''-terpyridine)(pyridine)(CH₃CN)₂](PF₆)₂; In acetonitrile; at 23 - 28 ℃; for 18h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1021/acs.joc.6b02830

Reference yield: 90.0%

dibutyl-(4-butyl-phenyl)-pentafluoroethyl-stannane → 4-n-butylphenol (1638-22-8)

Guidance literature:

With dihydrogen peroxide; potassium hydrogencarbonate; In tetrahydrofuran; methanol; water; at 20 ℃; for 14h;

DOI:10.1016/S0040-4039(99)00347-0

Reference yield: 87.0%

1-(4-hydroxyphenyl)-butan-1-one (1009-11-6) → 4-n-butylphenol (1638-22-8)

Guidance literature:

With hydrogenchloride; mercury; zinc; In acetic acid; for 30h; Heating;

upstream raw materials:

4-n-butylanisole

1,1-bis(4-hydroxyphenyl)-n-butane

butyraldehyde

phenol

Downstream raw materials:

succinic acid mono-(4-butyl-phenyl ester)

2-(4-butylphenoxy)acetic acid

(4-butyl-phenyl)-(tetra-O-acetyl-β-D-glucopyranoside)

4-n-Butyl-4'-methoxy-diphenylether