3,7,11-Trimethyldodeca-2,6,10-trienyl acetate

Base Information

• Chemical Name: 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate
• CAS No.: 29548-30-9
• Molecular Formula: C17H28O2
• Molecular Weight: 264.408
• Hs Code.: 29153900
• European Community (EC) Number: 249-689-1
• DSSTox Substance ID: DTXSID2047222
• Wikidata: Q72478070
• RXCUI: 1487114
• Mol file: 29548-30-9.mol

Synonyms:Farnesol acetate;29548-30-9;3,7,11-Trimethyldodeca-2,6,10-trienyl acetate;UNII-2ARF3ZNJ1R;EINECS 249-689-1;NSC 132958;2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate;AI3-33837;EC 249-689-1;3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol acetate;3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl acetate;DTXSID2047222;2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-acetate;2ARF3ZNJ1R;3,7,11 - trimethyldodeca - 2,6,10 - trienyl acetate;3, 7, 11- trimethyldodeca- 2, 6, 10- trienyl acetate;SCHEMBL133908;F0347;FT-0659539;D90665

Chemical Property of 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate

Chemical Property:

• Vapor Pressure: 5.44E-05mmHg at 25°C
• Melting Point: 63-64 °C (sublm)
• Refractive Index: n20/D 1.477
• Boiling Point: 347.3 °C at 760 mmHg
• Flash Point: 103.4 °C
• PSA: 26.30000
• Density: 0.902 g/cm³
• LogP: 4.96870
• Storage Temp.: Amber Vial, Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 264.208930132
• Heavy Atom Count: 19
• Complexity: 356

Purity/Quality:

99.9% ^*data from raw suppliers

Farnesyl Acetate (mixture of isomers) >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C
• Uses: farnesyl acetate is a tonic, also used for perfuming. A variety of beneficial effects on the skin’s metabolic process have been noted with the use of compounds consisting of a mixture of farnesyl acetate, farnesol, and panthenyl triacetate. Studies indicate that a combination of farnesyl acetate and panthenyl triacetate can help reduce sebum production in oily skin.

Technology Process of 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate

There total 3 articles about 3,7,11-Trimethyldodeca-2,6,10-trienyl 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: 77.0%

farnesol (4602-84-0) + acetic anhydride (108-24-7) → farnesyl acetate (29548-30-9)

Guidance literature:

farnesol; With manganese(II) iodide; naphthalene; lithium; In tetrahydrofuran; at 20 ℃; for 0.166667h; Inert atmosphere;

acetic anhydride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-0036-1590973

Reference yield: 75.0%

acetic acid methyl ester (79-20-9) + farnesyl benzoate (89637-63-8) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + farnesyl acetate (29548-30-9)

Guidance literature:

farnesyl benzoate; With sodium methylate; at 20 ℃;

acetic acid methyl ester; at 50 ℃; for 3h;

Reference yield:

→ Acetic acid (2E,6Z)-3,7,11-trimethyl-dodeca-2,6,10-trienyl ester (4128-17-0,24163-97-1,24163-98-2,29548-30-9,40266-29-3)

Guidance literature:

Brom-dodecatrien (II), KOCOCH3;

upstream raw materials:

acetic acid methyl ester

farnesyl benzoate

farnesol

acetic anhydride

Downstream raw materials:

(2E,6E)-9-((R)-3,3-Dimethyl-oxiranyl)-3,7-dimethyl-nona-2,6-dien-1-ol

(+/-)-drim-7-en-11-ol

10,11-epoxyfarnesyl acetate

Refernces

• 1、 -. "METHOD FOR PRODUCING BISABOLOL WHICH IS FARNESOL FREE OR IS LOW IN FARNESOL". Page/Page column 8. . Retrieved 2010/09/07.