2,4-Hexadien-1-ol, 1-acetate

Base Information

• Chemical Name: 2,4-Hexadien-1-ol, 1-acetate
• CAS No.: 1516-17-2
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• Hs Code.: 29153900
• DSSTox Substance ID: DTXSID80862683
• Mol file: 1516-17-2.mol

Synonyms:2,4-Hexadien-1-ol, 1-acetate;DTXSID80862683;FT-0610229;D94527

Chemical Property of 2,4-Hexadien-1-ol, 1-acetate

Chemical Property:

• Vapor Pressure: 0.662mmHg at 25°C
• Refractive Index: n20/D 1.474(lit.)
• Boiling Point: 186.466 °C at 760 mmHg
• Flash Point: 79.623 °C
• PSA: 26.30000
• Density: 0.926 g/cm³
• LogP: 1.68180
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

98% ^*data from raw suppliers

trans,trans-2,4-Hexadienyl acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=CC=CCOC(=O)C

Technology Process of 2,4-Hexadien-1-ol, 1-acetate

There total 13 articles about 2,4-Hexadien-1-ol, 1-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: 17.0%

4-propenyl-1,3-dioxane (40749-83-5) → 6-methyl-3,6-dihydro-2H-pyran (55230-25-6) + 1,3,5-hexatriene (2235-12-3) + 2,4-hexadien-1-ol acetate (1516-17-2) + 3,5-hexadien-1-ol acetate (75338-23-7)

Guidance literature:

With sulfuric acid; In ethyl acetate; at 90 ℃; for 9h; Further byproducts given; metal ampul;

Reference yield: 5.0%

4-propenyl-1,3-dioxane (40749-83-5) + ethyl acetate (141-78-6) → 6-methyl-3,6-dihydro-2H-pyran (55230-25-6) + penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7) + 1,3,5-hexatriene (2235-12-3) + 2,4-hexadien-1-ol acetate (1516-17-2) + 3,5-hexadien-1-ol acetate (75338-23-7)

Guidance literature:

With sulfuric acid; at 90 ℃; for 9h; metal ampul;

Reference yield:

2,4-hexadiene-1-ol (111-28-4) → 2,4-hexadienal (80466-34-8,4488-48-6) + 2,4-hexadien-1-ol acetate (1516-17-2)

Guidance literature:

With oxygen; In acetic acid; at 60 ℃; for 5h; Title compound not separated from byproducts.;

DOI:10.1039/b207098g

upstream raw materials:

4-propenyl-1,3-dioxane

(2Z,4E)-hexadienoic acid methyl ester

acetic anhydride

hexa-2,4-dienoic acid

Downstream raw materials:

8,10-Dodecadien-1-ol

(Z)-3-Hexenyl acetate

1,3,5-hexatriene

Refernces

• 1、 Segi, Masahito,Takahashi, Mamoru,Nakajima, Tadashi,Suga, Sohei,Sonoda, Noboru. "INTRAMOLECULAR DIELS-ALDER REACTION OF THIOALDEHYDES". . p. 2431 - 2440. Retrieved 2007/10/02.
• 2、 Rakhmankulov, I. L.,Kantor, E. A.,Rakhmankulov, D. L.. "REACTION OF 4- AND 4,4-SUBSTITUTED 1,3-DIOXANES WITH ETHYL ACETATE". . p. 1093 - 1097. Retrieved 2007/10/02.