(E)-4-Octenoic acid

Base Information

Chemical Name:(E)-4-Octenoic acid
CAS No.:18776-92-6
Molecular Formula:C₈H₁₄O₂
Molecular Weight:142.198
Hs Code.:
UNII:47P9XAP96K
DSSTox Substance ID:DTXSID10172085
Nikkaji Number:J2.350.978D,J98.024B
Metabolomics Workbench ID:48670
Mol file:18776-92-6.mol

Synonyms:(E)-4-Octenoic acid;4-OCTENOIC ACID;(E)-oct-4-enoic acid;4-Octenoic acid, (4E)-;18776-92-6;4-Octenoic acid, (E)-;FEMA No. 4357;18294-89-8;trans-4-Octenoic acid [FHFI];UNII-47P9XAP96K;47P9XAP96K;(4E)-oct-4-enoic acid;(4E)-4-Octenoic acid;(E)-4-Octenoic acid(trans-4-octenoic acid);SCHEMBL586010;4-OCTENOIC ACID, TRANS-;DTXSID10172085;CHEBI:180287;LMFA01030951;AKOS006376251;Q27259064

Suppliers and Price of (E)-4-Octenoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of (E)-4-Octenoic acid

Chemical Property:

Melting Point:-4℃
Boiling Point:240℃
Flash Point:137℃
PSA：37.30000
Density:0.955
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:: 98% ^*data from raw 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 (E)-4-Octenoic acid

There total 7 articles about (E)-4-Octenoic 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: 61.0%

: 78989-37-4
4E-octenoic acid ethyl ester

: 18776-92-6,18294-89-8
(E)-2-(pent-1-en-1-yl)benzoic acid

Guidance literature:: With sodium hydroxide; In ethanol; for 2h; Heating;
DOI:10.1039/b604130b

Reference yield:

: 4798-44-1,67928-93-2
1-hexene-3-ol

: 78-39-7
Triethyl orthoacetate

: 18776-92-6,18294-89-8
(E)-2-(pent-1-en-1-yl)benzoic acid

Guidance literature:: 1-hexene-3-ol; Triethyl orthoacetate; With propionic acid; at 140 ℃; for 12h; Dean-Stark;

With potassium hydroxide; In methanol; for 5h; Reflux; Dean-Stark;
DOI:10.1021/jacs.7b11351

Reference yield:

: 14916-79-1
3-heptyn-1-ol

: 18776-92-6,18294-89-8
(E)-2-(pent-1-en-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: Na, liq. NH₃

With potassium hydroxide; ammonia; sodium; In ethylene glycol;
DOI:10.1039/j39680000217