3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl acetate

Base Information

• Chemical Name: 3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl acetate
• CAS No.: 56001-43-5
• Molecular Formula: C₁₇H₂₈O₂
• Molecular Weight: 264.408
• European Community (EC) Number: 259-941-2
• DSSTox Substance ID: DTXSID501009866
• Mol file: 56001-43-5.mol

Synonyms:(+-)-Nerolidyl acetate;EINECS 259-941-2;1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, acetate, (3S,6Z)-;56001-43-5;(S-(Z))-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, acetate;3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl acetate;1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-acetate, (3S,6Z)-;(+ - ) - nerolidyl acetate;1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, acetate, [S-(Z)]-;SCHEMBL15914304;DTXSID501009866;[(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate;LS-63539

Chemical Property of 3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl acetate

Chemical Property:

• Vapor Pressure: 0.000127mmHg at 25°C
• Boiling Point: 334.6°Cat760mmHg
• Flash Point: 95.3°C
• Density: 0.897g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 264.208930132
• Heavy Atom Count: 19
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(C)(C=C)OC(=O)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C\CC[C@@](C)(C=C)OC(=O)C)/C)C

Technology Process of 3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl acetate

There total 1 articles about 3,7,11-Trimethyl-1,6,10-dodecatrien-3-yl acetate 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:

→ nerolidol acetate (56001-43-5,85611-33-2,91050-14-5,2306-78-7)

Guidance literature:

Reference yield:

nerolidol acetate (56001-43-5,85611-33-2,91050-14-5,2306-78-7) → 2,6,10-trimethyldodeca-2,6,10-triene (7681-88-1) + 3,7,11-trimethyl-1,6,10-dodecatriene

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; manganese; water; triphenylphosphine; palladium dichloride; In tetrahydrofuran; at 20 ℃; for 6h; regioselective reaction; Inert atmosphere;

DOI:10.1002/chem.201003315

Downstream raw materials:

2,6,10-trimethyldodeca-2,6,10-triene