6,10,14-Trimethylpentadecan-2-one

Base Information

• Chemical Name: 6,10,14-Trimethylpentadecan-2-one
• CAS No.: 502-69-2
• Deprecated CAS: 13955-74-3
• Molecular Formula: C18H36 O
• Molecular Weight: 268.483
• Hs Code.: 2914190090
• European Community (EC) Number: 207-950-7
• DSSTox Substance ID: DTXSID40862063
• Nikkaji Number: J112.395E
• Wikidata: Q67880075
• Metabolomics Workbench ID: 163686
• Mol file: 502-69-2.mol

Synonyms:6,10,14-trimethylpentadecan-2-one;hexahydrofarnesylacetone

Chemical Property of 6,10,14-Trimethylpentadecan-2-one

Chemical Property:

• Vapor Pressure: 0.0004mmHg at 25°C
• Melting Point: 129-136 °C
• Boiling Point: 316.8°Cat760mmHg
• Flash Point: 95°C
• PSA: 17.07000
• Density: 0.828g/cm³
• LogP: 6.01450
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 268.276615768
• Heavy Atom Count: 19
• Complexity: 220

Purity/Quality:

99.9% ^*data from raw suppliers

PerhydrofarnesylAcetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=O)C
• Uses: FITONE is used as a flavor and fragrance agent, it is often used in jasmine compositions.

Technology Process of 6,10,14-Trimethylpentadecan-2-one

There total 131 articles about 6,10,14-Trimethylpentadecan-2-one 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: 99.0%

(3EZ,5EZ,9EZ)-3,4-dehydrofarnesylacetone → 6,10,14-Trimethyl-2-pentadecanon (502-69-2)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In n-heptane; at 70 ℃; for 12h; under 2250.23 Torr; Reagent/catalyst; Temperature; Pressure;

Reference yield: 99.0%

(3EZ,5EZ,9E)-3,4-dehydrofarnesylacetone → 6,10,14-Trimethyl-2-pentadecanon (502-69-2)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In n-heptane; at 70 ℃; for 10.5h; under 2250.23 Torr; Reagent/catalyst; Temperature; Pressure;

Reference yield: 97.8%

6,10,14-trimethyl-5,9,13-pentadecatriene-2-on (1117-52-8) → 6,10,14-Trimethyl-2-pentadecanon (502-69-2)

Guidance literature:

With hydrogen; ShPAK-0.5;

DOI:10.1023/A:1015536927055

upstream raw materials:

6,10,14-trimethyl-2-pentadecanol

6,10,14-Trimethyl-5-pentadecen-2-one

6,10,14-trimethyl-5,9-pentadecadien-2-one

3,7,11,15-tetramethyl-2-hexadecen-1-ol

Downstream raw materials:

3,7,11,15-tetramethyl-1-hexadecyne-3-ol

3,7,11,15-tetramethyl-hexadec-1-yn-3-ol

1-(4,8,12-Trimethyl-tridecyl)-3-(1,5,9,13-tetramethyl-tetradecyl)-benzol

isophytol

Refernces

• 1、 Ferezon et al.. "". . p. 290. Retrieved 1977.
• 2、 Gontar', A. I.,Popov, O. S.,Sul'man, E. M.,Ankudinova, T. V.,Sannikov, O. B.,et al.. "CATALYTIC REDUCTION OF UNSATURATED KETONES IN A CONTINUOUS REACTOR. 1. HYDROGENATION OF 6,10,14-TRIMETHYLPENTADECA-3,5-DIEN-2-ONE ON RANEY NICKEL". . p. 68 - 70. Retrieved 1983.
• 3、 Bennett, Elliot L.,Brookfield, Adam,Guan, Renpeng,Huang, Zhiliang,Mcinnes, Eric J. L.,Robertson, Craig M.,Shanmugam, Muralidharan,Xiao, Jianliang. "Oxidative Cleavage of Alkenes by O2with a Non-Heme Manganese Catalyst". supporting information. p. 10005 - 10013. Retrieved 2021/07/19.
• 4、 Duchateau, Alexander L. L.,Lankhorst, Peter P.,Netscher, Thomas. "Discrimination of stereoisomers by one-dimensional 13C NMR: All 16 stereoisomers of 4-hydroxy-α-tocopherol resolved". . . Retrieved 2021/08/26.