2-Heptadecanone

Base Information

• Chemical Name: 2-Heptadecanone
• CAS No.: 2922-51-2
• Molecular Formula: C17H34O
• Molecular Weight: 254.456
• Hs Code.: 2914190090
• UNII: 01M5W012RI
• DSSTox Substance ID: DTXSID6075061
• Nikkaji Number: J97.900G
• Wikidata: Q27231437
• Metabolomics Workbench ID: 5452
• ChEMBL ID: CHEMBL3273575
• Mol file: 2922-51-2.mol

Synonyms:Heptadecan-2-one;2-HEPTADECANONE;2922-51-2;2-Heptodecanone;PACOCH3;Methyl pentadecyl ketone;2-heptadeconone;UNII-01M5W012RI;01M5W012RI;Pentadecyl Methyl Ketone;SCHEMBL161232;SCHEMBL2803236;CHEMBL3273575;DTXSID6075061;Heptadeca-2-one 2-Heptadecanone;CHEBI:188010;LMFA12000046;MFCD00026615;2-Heptadecanone, >=99.0% (GC);AKOS016009823;FT-0669117;F87271;J-017444;Q27231437

Chemical Property of 2-Heptadecanone

Chemical Property:

• Appearance/Colour: Fine white plates.
• Vapor Pressure: 0.000617mmHg at 25°C
• Melting Point: 47-50 ºC
• Refractive Index: 1.44
• Boiling Point: 319.9°C at 760mmHg
• Flash Point: 80.6°C
• PSA: 17.07000
• Density: 0.83g/cm³
• LogP: 6.05670
• Storage Temp.: 2-8°C
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 254.260965704
• Heavy Atom Count: 18
• Complexity: 174

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Heptadecanone ^*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 -> Aliphatic Ketones, Other
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)C
• Uses: 2-Heptadecanone is a saturated long chain alkyl ketone. 2-Heptadecanone is a volatile constituent found in cooked meats as well as in essential oils from various flowers and plants.

Technology Process of 2-Heptadecanone

There total 7 articles about 2-Heptadecanone 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:

n-butyllithium (109-72-8,29786-93-4) + 1,1-dimethyl-1-hexadecanamine (35177-30-1) → pentadecane (629-62-9) + heptadecan-2-one (2922-51-2) + eicosan-5-one (87012-80-4) + nonanone-5 (502-56-7)

Guidance literature:

In hexane; for 192h; Product distribution; Heating; var. amount of n-BuLi, var. time;

DOI:10.1021/jo00169a048

Reference yield:

1-hexadecylcarboxylic acid (57-10-3) → heptadecan-2-one (2922-51-2) + palmitone (502-73-8)

Guidance literature:

With K_0.8Zn_0.4Ti_1.6O₄; In para-xylene; at 375 ℃; for 6h; under 760.051 Torr; Reagent/catalyst; Flow reactor; Inert atmosphere; Gas phase;

DOI:10.1016/j.jssc.2016.03.030

Reference yield:

palmitone (502-73-8) → 1-tetradecene (1120-36-1) + heptadecan-2-one (2922-51-2) + 2-Dodecyl-1-pentadecyl-cyclobutanol

Guidance literature:

In various solvent(s); at 25 ℃; for 2h; Quantum yield; Irradiation; var. temp. and time;

upstream raw materials:

optically inactive 2-hydroxy-heptadecane-1,2,3-tricarboxylic acid

n-butyllithium

1,1-dimethyl-1-hexadecanamine

3-oxooctadecanoic acid

Downstream raw materials:

C₂₅H₄₅NO₂S

1-dodecene

(1R,2R)-2-Dodecyl-1-methyl-cyclobutanol

(1S,2R)-2-Dodecyl-1-methyl-cyclobutanol

Refernces

• 1、 Nu?ez, Alberto,Hammond, George S.,Weiss, Richard G.. "Investigation of the modes of solubilization and norrish II photoreactivity of 2- and sym-n-alkanones in the solid phases of n-heneicosane and two homologues". . p. 10258 - 10271. Retrieved 2007/10/02.
• 2、 Nunez, Alberto,Weiss, Richard G.. "Control of Norrish II Reactions of 2- and sym-Alkanones by the Ordered Solid Phases of Heneicosane". . p. 6215 - 6216. Retrieved 2007/10/02.