1,6-Dioxacycloheptadecan-7-one

Base Information

• Chemical Name: 1,6-Dioxacycloheptadecan-7-one
• CAS No.: 6707-60-4
• Molecular Formula: C15H28 O3
• Molecular Weight: 256.386
• Hs Code.: 2932999099
• European Community (EC) Number: 229-755-6
• NSC Number: 34741
• UNII: G6U2GR91JI
• DSSTox Substance ID: DTXSID4047705
• Nikkaji Number: J76.223G
• Wikidata: Q27278856
• ChEMBL ID: CHEMBL3186263
• Mol file: 6707-60-4.mol

Synonyms:12-oxahexadecanolide

Chemical Property of 1,6-Dioxacycloheptadecan-7-one

Chemical Property:

• Appearance/Colour: white semi-solid
• Vapor Pressure: 5.72E-07mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 411.1 °C at 760 mmHg
• Flash Point: 174.4 °C
• PSA: 35.53000
• Density: 0.98
• LogP: 3.85090
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 256.20384475
• Heavy Atom Count: 18
• Complexity: 204

Purity/Quality:

99.9% ^*data from raw suppliers

1,6-Dioxacycloheptadecan-7-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCOCCCCOC(=O)CCCC1
• Uses: Cervolide can be used for essence for laundry detergent.

Technology Process of 1,6-Dioxacycloheptadecan-7-one

There total 3 articles about 1,6-Dioxacycloheptadecan-7-one 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:

11-(4-hydroxy-butoxy)-undecanoic acid (41241-58-1) → lactone of ω-hydroxybutoxyundecanoic acid (6707-60-4)

Guidance literature:

at 250 ℃; zuletzt unter vermindertem Druck, und Erhitzen des Reaktionsprodukts mit Magnesiumchlorid-hexahydrat unter 1 Torr auf 270grad;

DOI:10.1021/ja01295a038

Reference yield:

→ lactone of ω-hydroxybutoxyundecanoic acid (6707-60-4)

Guidance literature:

With 3-monochloro-1,2-propanediol; glycerol; Erhitzen des Reaktionsprodukts mit kleinen Mengen der Mononatrium-Verbindung des Glycerins in Glycerin unter 3 Torr auf 190grad;

Reference yield:

→ lactone of ω-hydroxybutoxyundecanoic acid (6707-60-4)

Guidance literature:

aus 11-(4-Hydroxy-butyloxy)-undecansaeure, 1) Erhitzen auf 190gradC, 2) Dikaliumsebacat bei 195gradC;

upstream raw materials:

11-(4-hydroxy-butoxy)-undecanoic acid