6-Decenoic acid

Base Information

• Chemical Name: 6-Decenoic acid
• CAS No.: 85392-04-7
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2916190090
• European Community (EC) Number: 286-862-0
• UNII: E4OKO2D31X
• DSSTox Substance ID: DTXSID70235605
• Nikkaji Number: J2.261.053H,J98.046C
• Wikidata: Q27276870
• Metabolomics Workbench ID: 49231
• Mol file: 85392-04-7.mol

Synonyms:6-Decenoic acid;(E)-6-decenoic acid;85392-04-7;(E)-dec-6-enoic acid;6-Decenoic acid, (6E)-;trans-6-Decenoic acid;6-Decenoic acid, (E)-;UNII-E4OKO2D31X;FEMA No. 3742, 6E-;E4OKO2D31X;UNII-OEE88158Q0;86503-04-0;EINECS 286-862-0;FEMA No. 3742;6E-decenoic acid;(6E)-6-decenoic acid;DEC-6-ENOIC ACID;SCHEMBL414678;DTXSID70235605;(6E)-DEC-6-ENOIC ACID;CHEBI:180230;OEE88158Q0;LMFA01030921;AKOS006326905;EN300-7956705;A837652;Q27276870

Chemical Property of 6-Decenoic acid

Chemical Property:

• Vapor Pressure: 0.00159mmHg at 25°C
• Melting Point: 18.83°C (estimate)
• Refractive Index: 1.4364 (estimate)
• Boiling Point: 273.4°C at 760 mmHg
• Flash Point: 170.6°C
• PSA: 37.30000
• Density: 0.936
• LogP: 2.98770
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

6-DECENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Decenoic acid

There total 6 articles about 6-Decenoic 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:

(+/-)-δ-decanolactone (705-86-2) → 5(6)-decenoic acid (85392-03-6) + 5-hexyldihydro-2(3H)-furanone (706-14-9,2825-92-5) + 6-decenoic acid (85392-04-7) + 4-decenoic acid (26303-90-2)

Guidance literature:

With active clay; at 170 ℃; for 5h;

DOI:10.1271/bbb.69.2416

Reference yield:

ε-decalactone (5579-78-2,80445-36-9) → 5(6)-decenoic acid (85392-03-6) + 6-decenoic acid (85392-04-7)

Guidance literature:

With hydrogen; at 140 ℃; under 12.5038 Torr; Pressure; Overall yield = 150 g;

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 5(6)-decenoic acid (85392-03-6) + 6-decenoic acid (85392-04-7)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydroxide / 4 h / 72 °C

2: 5%-palladium/activated carbon; hydrogen / Petroleum ether / 20 °C / 3000.3 Torr

3: peracetic acid / 1 h / 15 - 30 °C

4: hydrogen / 140 °C / 12.5 Torr

With peracetic acid; 5%-palladium/activated carbon; hydrogen; sodium hydroxide; In Petroleum ether; 1: |Aldol Condensation / 3: |Baeyer-Villiger Ketone Oxidation;

upstream raw materials:

2-(Butylsulfonyl)-1-cyclohexanon

(+/-)-δ-decanolactone

ε-decalactone

cyclohexanone

Refernces

• 1、 Ito, Nobuhiko,Wada, Shigeru,Yamanaka, Yousuke,Takagaki, Hitoshi,Nakamura, Hironori. "Identification of novel decenoic acids in heated butter". . p. 2416 - 2420. Retrieved 2008/02/03.