Queen substance

Base Information

• Chemical Name: Queen substance
• CAS No.: 334-20-3
• Molecular Formula: C₁₀H₁₆O₃
• Molecular Weight: 184.235
• Hs Code.: 2918300090
• UNII: 618LR3X900
• Nikkaji Number: J1.525C,J2.370.988K
• Wikidata: Q27263314
• Metabolomics Workbench ID: 1589
• Mol file: 334-20-3.mol

Synonyms:9-ODA cpd;9-oxodec-2-enoic acid;9-oxodecenoic acid;9ODA cpd

Chemical Property of Queen substance

Chemical Property:

• Vapor Pressure: 1.77E-06mmHg at 25°C
• Melting Point: 54.5-55.5°
• Boiling Point: 369.7°Cat760mmHg
• Flash Point: 191.6°C
• PSA: 54.37000
• Density: 1.029g/cm³
• LogP: 2.16670
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 184.109944368
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

E-9-Oxodec-2-enoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Queen substance

There total 94 articles about Queen substance 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: 85.0%

(E)-(+/-)-9-Hydroxy-2-decensaeure (4448-33-3) → (E)-9-oxo-dec-2-enoic acid (334-20-3,2575-01-1,29282-32-4)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; at 50 ℃; for 1h;

DOI:10.1023/A:1019683830012

Reference yield: 82.0%

(E)-9-Oxo-2-decanoic acid methyl ester (1189-64-6) → (E)-9-oxo-dec-2-enoic acid (334-20-3,2575-01-1,29282-32-4)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; for 5h; Heating;

DOI:10.1055/s-1988-27461

Reference yield: 81.5%

ethyl 9-oxo-trans-2-decenoate (57221-88-2) → (E)-9-oxo-dec-2-enoic acid (334-20-3,2575-01-1,29282-32-4)

Guidance literature:

With potassium hydroxide; In ethanol; for 3.5h; Heating;

upstream raw materials:

Decen-(2^c+t)-on-⁽⁹⁾-saeure-⁽¹⁾-aethylenketal

malonic acid

7-oxo-octanal

trans-Nonen-8-in-carbonsaeure, Dec-9-in-trans-2-ensaeure

Downstream raw materials:

(E)-9-Oxo-2-decanoic acid methyl ester

2E-nonene-1,9-dioic acid

9-oxodecanoic acid

Decen-(2^t)-on-⁽⁹⁾-saeure-⁽¹⁾-chlorid