4-Heptyloxyphenol

Base Information

• Chemical Name: 4-Heptyloxyphenol
• CAS No.: 13037-86-0
• Molecular Formula: C13H20O2
• Molecular Weight: 208.301
• Hs Code.: 2909500000
• European Community (EC) Number: 627-297-5
• UNII: W9GSE02182
• DSSTox Substance ID: DTXSID5022483
• Nikkaji Number: J27.312K
• Wikidata: Q27074136
• Metabolomics Workbench ID: 67695
• ChEMBL ID: CHEMBL193558
• Mol file: 13037-86-0.mol

Synonyms:4-(heptyloxy)phenol;AC 45594;AC-45594;AC45594

Chemical Property of 4-Heptyloxyphenol

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 0.000123mmHg at 25°C
• Melting Point: 60-63 °C(lit.)
• Refractive Index: 1.505
• Boiling Point: 325.254 °C at 760 mmHg
• PKA: 10.35±0.15(Predicted)
• Flash Point: 144.771 °C
• PSA: 29.46000
• Density: 0.988 g/cm³
• LogP: 3.74140
• Storage Temp.: Store at +4°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

AC 45594 ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)O
• Uses: 4-(Heptyloxy)phenol was used to treat bovine luteal cells.

Technology Process of 4-Heptyloxyphenol

There total 5 articles about 4-Heptyloxyphenol 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: 40.0%

1-Bromoheptane (629-04-9) + hydroquinone (123-31-9,8027-02-9) → 4-heptyloxyphenol (13037-86-0)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; for 14h; Heating;

Reference yield: 7.7%

n-heptan1ol (111-70-6) + hydroquinone (123-31-9,8027-02-9) → 4-heptyloxyphenol (13037-86-0)

Guidance literature:

With quinhydrone; sulfuric acid; Heating;

Reference yield:

hydroquinone (123-31-9,8027-02-9) → 4-heptyloxyphenol (13037-86-0)

Guidance literature:

With potassium hydroxide; ethanol;

DOI:10.1021/ja01340a045

upstream raw materials:

1-Bromoheptane

hydroquinone

n-heptan1ol

Downstream raw materials:

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

C₄₅H₅₆O₈

4-n-heptyloxyphenyl 4-methoxycarbonyloxybenzoate

(2R,3S)-(-)-4-heptyloxyphenyl-3--oxirane-2-carboxylate