2,6,10-Trimethyldodecane

Base Information

• Chemical Name: 2,6,10-Trimethyldodecane
• CAS No.: 3891-98-3
• Deprecated CAS: 27982-62-3
• Molecular Formula: C15H32
• Molecular Weight: 212.419
• Hs Code.: 2901100000
• European Community (EC) Number: 622-542-2
• UNII: 8X81V0IT6Q
• DSSTox Substance ID: DTXSID1058634
• Nikkaji Number: J13.488K
• Wikidata: Q27116951
• Metabolomics Workbench ID: 55476
• Mol file: 3891-98-3.mol

Synonyms:2,6,10-TRIMETHYLDODECANE;Farnesane;3891-98-3;Farnesan;Dodecane, 2,6,10-trimethyl-;8X81V0IT6Q;EC 622-542-2;Dodecane,2,6,10-trimethyl-;HEMISQUALANE;NEOSSANCE TMD;UNII-8X81V0IT6Q;2,6,10-trimethyl-dodecane;DTXSID1058634;CHEBI:36756;MFCD00027077;AKOS024334439;AS-58771;CS-0452006;FT-0668468;E78326;Q27116951;7B5

Chemical Property of 2,6,10-Trimethyldodecane

Chemical Property:

• Vapor Pressure: 0.0368mmHg at 25°C
• Boiling Point: 249.1°Cat760mmHg
• Flash Point: 103.1°C
• PSA: 0.00000
• Density: 0.766g/cm³
• LogP: 5.66520
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 212.250401021
• Heavy Atom Count: 15
• Complexity: 126

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi,F

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CCC(C)CCCC(C)CCCC(C)C
• Uses: Farnesane is an antimicrobial agent.

Technology Process of 2,6,10-Trimethyldodecane

There total 40 articles about 2,6,10-Trimethyldodecane 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:

(E)-β-farnesene (18794-84-8) → 2,6,10-trimethyldodecane (3891-98-3)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethyl acetate; at 60 ℃;

DOI:10.1002/hlca.19660490304

Reference yield:

7,11-dimethyl-3-methylene-1,6,10-dodecatriene (18794-84-8,28973-97-9,77129-48-7) → 2,6,10-trimethyldodecane (3891-98-3)

Guidance literature:

With hydrogen; Pd/α-Al2O3; at 160 - 200 ℃; under 1794.37 - 5931.67 Torr; Product distribution / selectivity;

Reference yield:

farnesol (4602-84-0) → 2,6,10-trimethyldodecane (3891-98-3)

Guidance literature:

With platinum(IV) oxide; acetic acid; farnesane; Hydrogenation;

upstream raw materials:

cis-α-farnesene

(S)-(+)-nerolidol

farnesol

3,7,11-trimethyl-2E-dodecen-1-yl alcohol

Downstream raw materials:

(2R/S,6R/S,10R/S)-2,6,10-trimethyldodecan-1-ol

Refernces

• 1、 Gieshoff, Tim N.,Chakraborty, Uttam,Villa, Matteo,Jacobi von Wangelin, Axel. "Alkene Hydrogenations by Soluble Iron Nanocluster Catalysts". supporting information. p. 3585 - 3589. Retrieved 2017/03/21.
• 2、 Gordadze,Giruts,Poshibaeva,Koshelev. "The formation features of C10–C20 regular petroleum isoprenanes". . p. 672 - 676. Retrieved 2016/10/04.