3-Nonenoic acid

Base Information

• Chemical Name: 3-Nonenoic acid
• CAS No.: 4124-88-3
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.225
• Hs Code.: 2916190090
• European Community (EC) Number: 223-932-1
• UNII: T5J3N2F20Q
• Nikkaji Number: J98.031E,J98.032C
• Wikidata: Q27289700
• Metabolomics Workbench ID: 462
• Mol file: 4124-88-3.mol

Synonyms:3-Nonenoic acid;4124-88-3;(E)-non-3-enoic acid;(E)-3-Nonenoic acid;non-3-enoic acid;trans-3-Nonenoic acid;3-nonylenic acid;3-Nonenoic acid, (E)-;beta-nonylenic acid;3-Nonenoic acid, (3E)-;UNII-4YKK4UBI0X;UNII-T5J3N2F20Q;T5J3N2F20Q;28163-88-4;EINECS 223-932-1;C9:1n-6;3-NonenoicAcid;non-3-enoicacid;(3E)-3-Nonenoic acid;4YKK4UBI0X;(3E)-non-3-enoic acid;(3E)-3-Nonenoic acid #;3-Nonenoic acid, AldrichCPR;SCHEMBL288355;LMFA01030027;MFCD00059000;AKOS015839566;HY-W127476;CS-0185705;N0312;T72443;EN300-7356896;A873092;Q27289700

Chemical Property of 3-Nonenoic acid

Chemical Property:

• Vapor Pressure: 0.00343mmHg at 25°C
• Melting Point: -4.4°C
• Refractive Index: 1.4450 to 1.4490
• Boiling Point: 261.4°Cat760mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 158.7°C
• PSA: 37.30000
• Density: 0.944g/cm³
• LogP: 2.59760
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Nonenoic Acid >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Nonenoic acid

There total 51 articles about 3-Nonenoic 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: 86.4%

heptanal (111-71-7) + malonic acid (141-82-2) → (E)-non-3-enoic acid (28163-88-4,4124-88-3)

Guidance literature:

heptanal; malonic acid; With 4-methyl-morpholine; at 80 ℃; for 8h;

With sulfuric acid; In water; at 20 ℃; for 0.5h; regioselective reaction;

DOI:10.1080/00397910903370659

Reference yield: 82.0%

heptanal (111-71-7) + malonic acid (141-82-2) → 3-nonenoic acid (4124-88-3)

Guidance literature:

With piperidine; at 100 - 145 ℃; Temperature;

Reference yield: 77.0%

(E)-2-octen-1-yl acetate (3913-80-2) + carbon dioxide (124-38-9,18923-20-1) → 3-nonenoic acid (4124-88-3)

Guidance literature:

With nickel(II) bromide dimethoxyethane; manganese; 2.9-dimethyl-1,10-phenanthroline; magnesium chloride; In N,N-dimethyl-formamide; at 40 ℃; for 16h; under 760.051 Torr; Reagent/catalyst; Catalytic behavior; Schlenk technique;

DOI:10.1021/ja509077a

upstream raw materials:

heptanal

malonic acid

oct-1-ene

n-butyl magnesium bromide

Downstream raw materials:

methyl non-3-enoate

3-nonene-1-ol

Refernces

• 1、 -. "Synthetic method γ - nonene lactone". Paragraph 0019-0021; 0024-0026; 0029-0031; 0034; 0035. . Retrieved 2021/11/10.
• 2、 Lorber, Katja,Zeh, Gina,Regler, Johanna,Buettner, Andrea. "Structure-Odor Relationships of (Z)-3-Alken-1-ols, (Z)-3-Alkenals, and (Z)-3-Alkenoic Acids". . p. 2334 - 2343. Retrieved 2018/03/21.