cis-2-Dodecenoic acid

Base Information

• Chemical Name: cis-2-Dodecenoic acid
• CAS No.: 55928-65-9
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• European Community (EC) Number: 662-796-1
• NSC Number: 59856
• Nikkaji Number: J2.783.205I
• Wikidata: Q27117638
• Metabolomics Workbench ID: 644
• ChEMBL ID: CHEMBL4293570
• Mol file: 55928-65-9.mol

Synonyms:2-dodecenoic acid;cis-2-dodecenoic acid

Chemical Property of cis-2-Dodecenoic acid

Chemical Property:

• Boiling Point: 311.7 °C at 760 mmHg
• PKA: 4.62±0.25(Predicted)
• Flash Point: 216.6 °C
• PSA: 37.30000
• Density: 0.922 g/cm³
• LogP: 3.76790
• Storage Temp.: ?20°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

99%, ^*data from raw suppliers

cis-2-Dodecenoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 41-51/53
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC=CC(=O)O
• Isomeric SMILES: CCCCCCCCC/C=C\C(=O)O

Technology Process of cis-2-Dodecenoic acid

There total 6 articles about cis-2-Dodecenoic 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: 98.1%

→ cis-2-dodecanoic acid (55928-65-9,4412-16-2)

Guidance literature:

Reference yield:

methyl (E)-dodec-2-enolate (6208-91-9) → cis-2-dodecanoic acid (55928-65-9,4412-16-2) + (E)-2-dodecenoic acid (32466-54-9,4412-16-2)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1021/jo9512766

Reference yield:

ethyl (Z)-dodec-2-enoate (42778-95-0) → cis-2-dodecanoic acid (55928-65-9,4412-16-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1038/s41467-019-10271-4

upstream raw materials:

methyl (E)-dodec-2-enolate

caprinaldehyde

(E)-2-dodecenoic acid

methyl trans/cis-2-dodecanoate

Downstream raw materials:

caprinaldehyde

methyl nonyl ketone

undecylaldehyde

2R,3R-epoxy-dodecanoic acid

Refernces

• 1、 -. "INHIBITORS OF YEAST FILAMENTOUS GROWTH AND METHOD OF THEIR MANUFACTURE". Page/Page column 12-14. . Retrieved 2008/06/13.