1,2-Hexadecanediol

Base Information

• Chemical Name: 1,2-Hexadecanediol
• CAS No.: 6920-24-7
• Deprecated CAS: 1191-54-4,2205885-39-6
• Molecular Formula: C16H34 O2
• Molecular Weight: 258.445
• Hs Code.: 2905399090
• NSC Number: 71525
• UNII: 1H07JK4G0C
• DSSTox Substance ID: DTXSID60884343
• Nikkaji Number: J265.955G
• Wikidata: Q27105052
• RXCUI: 1592894
• Mol file: 6920-24-7.mol

Synonyms:1,2-hexadecanediol

Chemical Property of 1,2-Hexadecanediol

Chemical Property:

• Vapor Pressure: 1.69E-06mmHg at 25°C
• Melting Point: 68-72 °C(lit.)
• Refractive Index: 1.4731 (estimate)
• Boiling Point: 356.1oC at 760 mmHg
• PKA: 14.45±0.20(Predicted)
• Flash Point: 183oC
• PSA: 40.46000
• Density: 0.897g/cm3
• LogP: 4.43080
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 258.255880323
• Heavy Atom Count: 18
• Complexity: 148

Purity/Quality:

98% ^*data from raw suppliers

1,2-Hexadecanediol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: CCCCCCCCCCCCCCC(CO)O
• Uses: 1,2-Hexadecanediol was used as reducing agent in the preparation of silver nanocrystals from a dichlorobenzene solution containing oleyl amine as a surfactant. It was also used in the preparation of:Au-Fe3O4 hetero-dimersiron pyrite nanocrystalsmonodisperse iron platinum nanoparticles

Technology Process of 1,2-Hexadecanediol

There total 16 articles about 1,2-Hexadecanediol 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: 68.0%

1,2-epoxyhexadecane (7320-37-8,68110-12-3) + 2-acetylaminomalonic acid diethyl ester (1068-90-2) → hexadecane-1,2-diol (6920-24-7) + 3-Acetylamino-2-oxo-5-tetradecyl-tetrahydro-furan-3-carboxylic acid ethyl ester

Guidance literature:

With potassium tert-butylate; Aliquat 336; lithium chloride; In tetrahydrofuran; at 120 ℃; for 18h;

DOI:10.1080/00397919408010188

Reference yield:

1-Hexadecene (629-73-2) → hexadecane-1,2-diol (6920-24-7)

Guidance literature:

With osmium(VIII) oxide; dihydrogen peroxide; tert-butyl alcohol; und folgende Verseifung;

Reference yield:

1,2-epoxyhexadecane (7320-37-8,68110-12-3) → hexadecane-1,2-diol (6920-24-7)

Guidance literature:

With Aliquat 336; potassium carbonate; 2-acetylaminomalonic acid diethyl ester; lithium chloride; In tetrahydrofuran; at 120 ℃; for 18h;

DOI:10.1080/00397919408010188

upstream raw materials:

1-Hexadecene

D-penicillamine methyl ester hydrochloride

Ethyl diethoxyacetate

1,2-epoxyhexadecane

Downstream raw materials:

1,3-hexadecanediol

2-acetoxy-1-hydroxyhexadecane

hexadec-1-yne

Refernces

• 1、 Cram,Abell. "-". . p. 1179,1180. Retrieved 1955.
• 2、 Sheehan,Bose. "-". . p. 4957. Retrieved 1952.
• 3、 Junttila, Mikko H.,Hormi, Osmo E.O.. "Catalysts/cosolvents and general acid catalysts for acceleration of the hydrolysis of osmate(VI) esters". supporting information; scheme or table. p. 3430 - 3432. Retrieved 2010/09/05.
• 4、 -. "Treatment of neurodegenerative diseases". . . Retrieved 2008/06/13.