(Z)-1,5-octadien-3-ol

Base Information

• Chemical Name: (Z)-1,5-octadien-3-ol
• CAS No.: 50306-18-8
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• Hs Code.: 2905290000
• UNII: K3WU44ANQ8
• DSSTox Substance ID: DTXSID601314931
• Nikkaji Number: J1.576.860F
• Metabolomics Workbench ID: 3351
• Mol file: 50306-18-8.mol

Synonyms:octa-1,5-dien-3-ol;octa-1,5-dien-3-ol, (E)-isomer

Chemical Property of (Z)-1,5-octadien-3-ol

Chemical Property:

• Vapor Pressure: 0.194mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 185.7 °C at 760 mmHg
• PKA: 14.25±0.20(Predicted)
• Flash Point: 72.1 °C
• PSA: 20.23000
• Density: 0.857 g/cm³
• LogP: 1.88960
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 94.7

Purity/Quality:

99% ^*data from raw suppliers

cis-1,5-Octadien-3-ol(stabilizedwith~1%BHT) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=CCC(C=C)O
• Isomeric SMILES: CC/C=C\CC(C=C)O
• Uses: cis-1,5-Octadien-3-ol is an intermediate in the synthesis of (Z)-Octa-1,5-dien-3-one (O235830), which is an odorant found in green tea, and palm wines.

Technology Process of (Z)-1,5-octadien-3-ol

There total 14 articles about (Z)-1,5-octadien-3-ol 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: 85.0%

(Z)-(3-(pent-2-enyl)oxiran-2-yl)methanol (105182-83-0,105228-32-8,129171-46-6,133575-33-4) → (Z)-(RS)-1,5-octadien-3-ol (50306-18-8,83861-74-9)

Guidance literature:

With diethyltitanium dichloride; zinc(II) chloride; zinc; In tetrahydrofuran;

DOI:10.1039/c39900000843

Reference yield: 60.0%

(3Z)-hexenal (6789-80-6) + vinyl magnesium bromide (1826-67-1) → (Z)-(RS)-1,5-octadien-3-ol (50306-18-8,83861-74-9)

Guidance literature:

With water; In tetrahydrofuran; at 10 ℃;

DOI:10.1021/jf9902090

Reference yield: 49.0%

oct-1-en-5-yn-3-ol (56956-30-0) → (Z)-(RS)-1,5-octadien-3-ol (50306-18-8,83861-74-9) + (Z)-oct-5-en-3-ol

Guidance literature:

With hydrogen; Lindlar's catalyst; In diethyl ether; at 0 ℃; for 0.5h;

upstream raw materials:

(Z)-(3-(pent-2-enyl)oxiran-2-yl)methanol

oct-1-en-5-yn-3-ol

1-Penten-3-ol

acrolein

Downstream raw materials:

(Z)-1,5-octadien-3-one

(+/-)-dictyopterene

Ectocarpene

(3E,5E,8Z)-1,3,5,8-Undecatetraen