11-Hexadecenoic acid

Base Information

• Chemical Name: 11-Hexadecenoic acid
• CAS No.: 2416-20-8
• Molecular Formula: C16H30 O2
• Molecular Weight: 254.413
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID00880900
• Nikkaji Number: J568.010G
• Wikidata: Q27116490
• Metabolomics Workbench ID: 682
• Mol file: 2416-20-8.mol

Synonyms:(Z)-hexadec-11-enoic acid;(Z)-11-hexadecenoic acid;(Z11)-Hexadecenoic acid;11-Hexadecenoic acid;2416-20-8;11Z-hexadecenoic acid;cis-Palmitvaccenic acid;Hexadecenoic acid, Z-11-;(11Z)-hexadec-11-enoic acid;11(Z)-HEXADECENOIC ACID;C16:1n-5;Nerylpropionate;Tanacetumoleic acid;Z-11-Hexadecenoic acid;(Z)-hexadec-11-enoicacid;SCHEMBL2286936;CHEBI:35464;DTXSID00880900;(11Z)-11-Hexadecenoic acid #;LMFA01030262;Q27116490

Chemical Property of 11-Hexadecenoic acid

Chemical Property:

• Vapor Pressure: 1.87E-06mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 368.9°C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 265.9°C
• PSA: 37.30000
• Density: 0.905g/cm³
• LogP: 5.32830
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 254.224580195
• Heavy Atom Count: 18
• Complexity: 209

Purity/Quality:

98.5% ^*data from raw suppliers

(Z)-11-HexadecenoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=CCCCCCCCCCC(=O)O
• Isomeric SMILES: CCCC/C=C\CCCCCCCCCC(=O)O
• Uses: (Z)-11-Hexadecenoic Acid, is a monounsaturated fatty acid that is a minor constituent of ruminant fats.

Technology Process of 11-Hexadecenoic acid

There total 14 articles about 11-Hexadecenoic 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%

11-hexadecynoic acid (76470-04-7) → (11Z)-hexadec-11-enoic acid (2416-20-8,2271-34-3)

Guidance literature:

With hydrogen; Lindlar's catalyst; In quinoline; n-heptane; at 0 ℃;

Reference yield:

1-chloro-4-nonyne (3416-74-8) → (11Z)-hexadec-11-enoic acid (2416-20-8,2271-34-3)

Guidance literature:

Multi-step reaction with 5 steps

1: ethanol / 96 h / Heating

2: aq. NaOH / ethanol / 96 h / Heating

3: KOH / methanol / 22 °C / electrolysis, Pt-electrodes, 150 mA/cm^-2

4: KOH / methanol / 24 h / Heating

5: 97 percent / H₂ / Lindlar Catalyst / quinoline; heptane / 0 °C

With potassium hydroxide; sodium hydroxide; hydrogen; Lindlar's catalyst; In quinoline; methanol; ethanol; n-heptane;

Reference yield:

dec-5-ynenitrile (15295-70-2) → (11Z)-hexadec-11-enoic acid (2416-20-8,2271-34-3)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. NaOH / ethanol / 96 h / Heating

2: KOH / methanol / 22 °C / electrolysis, Pt-electrodes, 150 mA/cm^-2

3: KOH / methanol / 24 h / Heating

4: 97 percent / H₂ / Lindlar Catalyst / quinoline; heptane / 0 °C

With potassium hydroxide; sodium hydroxide; hydrogen; Lindlar's catalyst; In quinoline; methanol; ethanol; n-heptane;

upstream raw materials:

pentanal

11-(Triphenyl-λ⁵-phosphanylidene)-undecanoic acid ethyl ester

azelaic monomethyl ester

(Z)-non-4-enoic acid

Downstream raw materials:

(Z)-11-hexadecen-1-yl acetate

(Z)-11-hexadecen-1-ol