1-Hexadecanol, hydrogen sulfate, ammonium salt

Base Information

• Chemical Name: 1-Hexadecanol, hydrogen sulfate, ammonium salt
• CAS No.: 4696-47-3
• Deprecated CAS: 59862-20-3
• Molecular Formula: C16H34 O4 S . H3 N
• Molecular Weight: 339.54
• European Community (EC) Number: 225-162-1
• Mol file: 4696-47-3.mol

Synonyms:Ammonium hexadecyl sulphate;Cetyl sulfate ammonium salt;1-Hexadecanol, hydrogen sulfate, ammonium salt;EINECS 225-162-1;4696-47-3;1-Hexadecanol, 1-(hydrogen sulfate), ammonium salt (1:1);C16H34O4S.H3N;C16-H34-O4-S.H3-N;SCHEMBL23528245

Chemical Property of 1-Hexadecanol, hydrogen sulfate, ammonium salt

Chemical Property:

• Vapor Pressure: 4.29E-10mmHg at 25°C
• Boiling Point: 469°Cat760mmHg
• Flash Point: 237.5°C
• PSA: 75.22000
• Density: g/cm³
• LogP: 6.69180
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 339.24432984
• Heavy Atom Count: 22
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOS(=O)(=O)O.N

Technology Process of 1-Hexadecanol, hydrogen sulfate, ammonium salt

There total 2 articles about 1-Hexadecanol, hydrogen sulfate, ammonium salt 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:

sulfuric acid monohexadecyl ester (143-02-2) → ammonium palmityl sulfate (4696-47-3)

Guidance literature:

With ammonium bicarbonate; In water; butan-1-ol; until pH 7.5;

Reference yield:

1-Hexadecanol (36653-82-4,124-29-8) → ammonium palmityl sulfate (4696-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 98percent H₂SO₄ / petroleum ether / 0.5 h / Heating

2: NH₄HCO₃ / butan-1-ol; H₂O / until pH 7.5

With sulfuric acid; ammonium bicarbonate; In water; Petroleum ether; butan-1-ol;

upstream raw materials:

sulfuric acid monohexadecyl ester

1-Hexadecanol

Refernces