(Z)-Oct-4-enoic acid

Base Information

• Chemical Name: (Z)-Oct-4-enoic acid
• CAS No.: 18654-81-4
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 2916190090
• European Community (EC) Number: 242-479-0
• UNII: FVP4H6QXCP
• DSSTox Substance ID: DTXSID001315343
• Nikkaji Number: J222.264G
• Wikidata: Q27278231
• Metabolomics Workbench ID: 456
• Mol file: 18654-81-4.mol

Synonyms:(Z)-Oct-4-enoic acid;18654-81-4;(Z)-4-Octenoic acid;4-Octenoic acid, (Z)-;cis-gamma-octenoic acid;4Z-octenoic acid;cis-4-octenoic acid;FVP4H6QXCP;UNII-FVP4H6QXCP;4-Octenoicacid, (4Z)-;C8:1n-4;EINECS 242-479-0;(4Z)-4-octenoic acid;MFCD20617118;starbld0031140;SCHEMBL2441819;CHEBI:180312;DTXSID001315343;4-OCTENOIC ACID, (4Z)-;LMFA01030021;E70288;Q27278231

Chemical Property of (Z)-Oct-4-enoic acid

Chemical Property:

• Vapor Pressure: 0.0132mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 239.9 °C at 760 mmHg
• Flash Point: 137.2 °C
• PSA: 37.30000
• Density: 0.955g/cm³
• LogP: 2.20750
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

(Z)-Oct-4-enoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CCCC(=O)O
• Isomeric SMILES: CCC/C=C\CCC(=O)O

Technology Process of (Z)-Oct-4-enoic acid

There total 5 articles about (Z)-Oct-4-enoic acid 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: 78.0%

(Z)-oct-4-enoic acid ethyl ester (34495-71-1) → (Z)-oct-4-enoic acid (18654-81-4,18294-89-8)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Heating;

DOI:10.1039/b604130b

Reference yield:

oct-4-ynoic acid (102369-77-7) → (Z)-oct-4-enoic acid (18654-81-4,18294-89-8)

Guidance literature:

With nickel; benzene; Hydrogenation;

DOI:10.1021/jo01085a033

Reference yield:

3-heptyn-1-ol (14916-79-1) → (Z)-oct-4-enoic acid (18654-81-4,18294-89-8)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) TsCl, Py, (ii) /BRN= 4652394/, DMSO

2: aq. KOH / ethane-1,2-diol

3: H₂, quinoline / Lindlar / ethyl acetate

With quinoline; potassium hydroxide; hydrogen; Lindlar's catalyst; In ethylene glycol; ethyl acetate;

DOI:10.1039/j39680000217

upstream raw materials:

oct-4-ynoic acid

(Z)-oct-4-enoic acid ethyl ester

3-heptyn-1-ol

oct-4-ynenitrile

Refernces