trans-2-Octenoic acid

Base Information

• Chemical Name: trans-2-Octenoic acid
• CAS No.: 1470-50-4
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• Hs Code.: 2916190090
• European Community (EC) Number: 217-491-4,216-001-6
• UNII: C0057TJ59E
• DSSTox Substance ID: DTXSID50904721
• Nikkaji Number: J98.019F,J98.020J
• Wikidata: Q27159230
• Metabolomics Workbench ID: 453
• ChEMBL ID: CHEMBL4277871
• Mol file: 1470-50-4.mol

Synonyms:trans-2-Octenoic acid;2-Octenoic acid;1871-67-6;(E)-oct-2-enoic acid;(E)-2-Octenoic acid;2-Octenoic acid, (2E)-;1470-50-4;2-Octenoic acid, (E)-;2E-octenoic acid;(2E)-2-Octenoic acid;trans-alpha-octenoic acid;(2E)-oct-2-enoic acid;Oct-2-enoic acid;Oct-2-enoic acid (E);UNII-C0057TJ59E;C0057TJ59E;EINECS 216-001-6;EINECS 217-491-4;(E)-Oct-2-enoate;2-Octenoate;C8:1n-6;trans-2-Octenoate;(E)-2-Octenoate;MFCD00002706;starbld0000560;2-Octenoic acid, trans-;2-Octenoic acid, 85%;bmse000616;(2E)-2-Octenoic acid #;SCHEMBL192604;?TRANS-2-OCTENOIC ACID;CHEMBL4277871;FEMA NO. 3957;CHEBI:86544;DTXSID50904721;LMFA01030018;NSC 66570;s6162;(E)-2-OCTENOIC ACID [FHFI];AKOS006223032;HY-W046906;2-Octenoic acid, technical grade, 85%;BS-23869;CS-0098436;O0004;EN300-805053;A813440;A902952;J-012043;Q27159230

Chemical Property of trans-2-Octenoic acid

Chemical Property:

• Vapor Pressure: 5.07E-11mmHg at 25°C
• Melting Point: 5-6 °C(lit.)
• Refractive Index: n20/D 1.4588(lit.)
• Boiling Point: 154 °C22 mm Hg(lit.)
• Flash Point: 151.1°C
• PSA: 37.30000
• Density: 0.955g/cm³
• LogP: 2.20750
• XLogP3: 2.7
• 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

2-OCTENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC(=O)O
• Isomeric SMILES: CCCCC/C=C/C(=O)O

Technology Process of trans-2-Octenoic acid

There total 8 articles about trans-2-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: 97.0%

pentanal (110-62-3) + bromoacetic acid (79-08-3) → oct-2-enoic acid (1470-50-4)

Guidance literature:

With iron; zinc; In ethyl acetate; at 50 ℃;

Reference yield: 70.0%

oct-2-ynoic acid (5663-96-7) → oct-2-enoic acid (1470-50-4)

Guidance literature:

With sodium hydroxide; Triethoxysilane; water; palladium diacetate; for 4h; Ambient temperature;

DOI:10.1016/S0040-4039(00)97715-3

Reference yield: 68.0%

→ oct-2-enoic acid (1470-50-4)

Guidance literature:

With Iron(III) nitrate nonahydrate; oxygen; sodium acetate; In ethyl acetate; at 25 ℃; for 16h; under 760.051 Torr;

upstream raw materials:

malonic acid

hexanal

oct-2-ynoic acid

trimetylsilylketene

Refernces

• 1、 -. "MANUFACTURING METHOD OF α,β-UNSATURATED CARBOXYLIC ACID". Paragraph 0050-0052. . Retrieved 2018/10/16.
• 2、 Black,Zhang,Huang,Smith,Yates. "Carbonyl homologation via α-trimethylsilyl β-lactone rearrangements. A nonbasic alternative to the Wittig reaction". . p. 15 - 20. Retrieved 2007/10/02.