p-Nonyloxybenzoic acid

Base Information

• Chemical Name: p-Nonyloxybenzoic acid
• CAS No.: 15872-43-2
• Molecular Formula: C16H24 O3
• Molecular Weight: 264.365
• Hs Code.: 29189990
• DSSTox Substance ID: DTXSID90166503
• Nikkaji Number: J660.757H
• Mol file: 15872-43-2.mol

Synonyms:15872-43-2;4-(Nonyloxy)benzoic acid;p-Nonyloxybenzoic acid;4-(N-NONYLOXY)BENZOIC ACID;4-nonoxybenzoic acid;4-Nonyloxybenzoic acid;4-n-Nonyloxybenzoic acid;Benzoic acid, 4-(nonyloxy)-;MFCD00043501;4-(Nonyloxy)benzoicacid;4-(Nonyloxy)benzoic acid #;Benzoic acid, p-(nonyloxy)-;SCHEMBL503367;DTXSID90166503;4-(Nonyloxy)benzoic acid, 97%;STR06305;AKOS001483115;NCGC00340031-01;CS-0337029;FT-0616838;AB01333096-02;A809962

Chemical Property of p-Nonyloxybenzoic acid

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 8.91E-07mmHg at 25°C
• Melting Point: 143 °C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 389.9°Cat760mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 135.9°C
• PSA: 46.53000
• Density: 1.024g/cm³
• LogP: 4.51420
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 264.17254462
• Heavy Atom Count: 19
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

4-(N-Nonyloxy)BenzoicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCOC1=CC=C(C=C1)C(=O)O
• Uses: Intermediate for the synthesis of liquid crystals including chiral ferroelectric benzoates. Used in the preparation of medicinal compounds.

Technology Process of p-Nonyloxybenzoic acid

There total 15 articles about p-Nonyloxybenzoic acid 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: 100.0%

→ 4-nonyloxybenzoic acid (15872-43-2)

Guidance literature:

Reference yield: 95.0%

methyl 4-(n-nonyloxy)benzoate (147080-44-2) → 4-nonyloxybenzoic acid (15872-43-2)

Guidance literature:

methyl 4-(n-nonyloxy)benzoate; With potassium hydroxide; In tetrahydrofuran; ethanol; water; Reflux;

In tetrahydrofuran; ethanol; water; at 20 ℃; Acidic aq. solution;

DOI:10.1080/15421400902841478

Reference yield: 84.0%

Ethyl 4-hydroxybenzoate (120-47-8) + 1-Bromononane (693-58-3) → 4-nonyloxybenzoic acid (15872-43-2)

Guidance literature:

Ethyl 4-hydroxybenzoate; 1-Bromononane; With potassium carbonate; In ethanol; for 48h; Reflux;

With water; In ethanol; for 1.5h; Reflux;

upstream raw materials:

1-Bromononane

sel de potassium de l'acide p-hydroxybenzoique

methyl 4-(n-nonyloxy)benzoate

4-hydroxy-benzoic acid

Downstream raw materials:

8-(p-nonyloxybenzoyl)amino-2-(5-tetrazolyl)-4-oxo-4H-1-benzopyran

C₅₁H₅₉N₃O₆

C₅₄H₇₄O₈

4-Nonyloxy-N-[3-(1H-tetrazol-5-yl)-2,3-dihydro-benzo[1,4]dioxin-5-yl]-benzamide