2-Hexadecanol

Base Information

• Chemical Name: 2-Hexadecanol
• CAS No.: 14852-31-4
• Molecular Formula: C16H34 O
• Molecular Weight: 242.445
• Hs Code.: 29051900
• European Community (EC) Number: 238-917-5
• NSC Number: 87605
• DSSTox Substance ID: DTXSID80871235
• Nikkaji Number: J108.571I
• Wikidata: Q81986605
• Metabolomics Workbench ID: 134438
• ChEMBL ID: CHEMBL446956
• Mol file: 14852-31-4.mol

Synonyms:2-Hexadecanol;Hexadecan-2-ol;14852-31-4;Hexadecanol-2;EINECS 238-917-5;NSC 87605;AI3-35278;NSC87605;2-Hexadecanol, 99%;Methyl tetradecyl carbinol;SCHEMBL259176;CHEMBL446956;DTXSID80871235;4-CHLORO-5-CYANOQUINOLINE;CHEBI:185029;NSC-87605;AKOS009157550;FT-0724190;J-008480

Chemical Property of 2-Hexadecanol

Chemical Property:

• Vapor Pressure: 4.14E-05mmHg at 25°C
• Melting Point: 43-46 °C(lit.)
• Refractive Index: 1.4479
• Boiling Point: 135 °C1 mm Hg(lit.)
• PKA: 15.26±0.20(Predicted)
• Flash Point: 111.3°C
• PSA: 20.23000
• Density: 0.834g/cm³
• LogP: 5.45840
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 242.260965704
• Heavy Atom Count: 17
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

2-Hexadecanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(C)O
• Uses: 2-Hexadecanol is a volatile component and fatty alcohol identified in the petroleum ether extraction of leaves of Tecoma radicans.

Technology Process of 2-Hexadecanol

There total 11 articles about 2-Hexadecanol 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: 87.0%

1-Hexadecene (629-73-2) → hexadecan-2-ol (14852-31-4) + 1-Hexadecanol (36653-82-4,124-29-8)

Guidance literature:

1-Hexadecene; With 1-bromo-butane; sodium tetrahydroborate; Aliquat 336; at 20 ℃; for 16h;

With sodium hydroxide; dihydrogen peroxide; at 40 ℃; for 1h;

Reference yield: 62.0%

1,2-epoxyhexadecane (7320-37-8,68110-12-3) → hexadecan-2-ol (14852-31-4)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen; In toluene; at 100 ℃; for 24h; under 37503.8 Torr; regioselective reaction;

DOI:10.1021/acs.orglett.9b03995

Reference yield:

hexadecanoic acid methyl ester (112-39-0) → pentadecane (629-62-9) + methane (34557-54-5,27936-85-2) + Hexadecane (544-76-3) + hexadecan-2-ol (14852-31-4) + 1-Hexadecanol (36653-82-4,124-29-8) + n-hexadecylaldehyde (629-80-1) + cetyl palmitate (540-10-3) + carbon monoxide (201230-82-2) + 1-hexadecylcarboxylic acid (57-10-3)

Guidance literature:

With hydrogen; In dodecane; at 290 ℃; under 22502.3 Torr;

DOI:10.1039/c6ra01171c

upstream raw materials:

hexadecan-2-one

tetradecylmagnesium bromide

acetaldehyde

1-Hexadecene

Downstream raw materials:

hexadecan-2-yl 2-phenylacetate

pentadecane

tetradecane

Hexadecane

Refernces

• 1、 Messer. "-". . . Retrieved 1929.
• 2、 Thiyagarajan, Subramanian,Gunanathan, Chidambaram. "Ruthenium-Catalyzed Selective Hydrogenation of Epoxides to Secondary Alcohols". supporting information. p. 9774 - 9778. Retrieved 2019/12/02.
• 3、 Chen, Lifang,Hu, Juncheng,Richards, Ryan. "Intercalation of aggregation-free and well-dispersed gold nanoparticles into the walls of mesoporous silica as a robust "Green" catalyst for n-Alkane oxidation". supporting information; experimental part. p. 914 - 915. Retrieved 2009/06/19.