1,6-Dioxacyclododecane-7,12-dione

Base Information

• Chemical Name: 1,6-Dioxacyclododecane-7,12-dione
• CAS No.: 777-95-7
• Molecular Formula: C10H16O4
• Molecular Weight: 200.235
• European Community (EC) Number: 212-291-3
• UNII: K085AS8U9A
• DSSTox Substance ID: DTXSID70228330
• Nikkaji Number: J99.628I
• Wikidata: Q27281769
• Mol file: 777-95-7.mol

Synonyms:1,6-DIOXACYCLODODECANE-7,12-DIONE;777-95-7;EINECS 212-291-3;UNII-K085AS8U9A;K085AS8U9A;butylene adipate;Adipic acid 1,4-butanediyl;SCHEMBL189733;DTXSID70228330;AKOS028114726;Adipic Acid Cyclic Tetramethylene Ester;AS-61225;1,6-DIOXACYCLODODECANE- 7,12-DION;ADIPIC ACID, CYCLIC TETRAMETHYLENE ESTER;EN300-7493858;Q27281769

Chemical Property of 1,6-Dioxacyclododecane-7,12-dione

Chemical Property:

• Vapor Pressure: 2.44E-07mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 422.3 °C at 760 mmHg
• Flash Point: 223.3 °C
• PSA: 52.60000
• Density: 1.065 g/cm³
• LogP: 1.42700
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly), Methanol (S
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 200.10485899
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

99%, ^*data from raw suppliers

1,6-Dioxacyclododecane-7,12-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)OCCCCOC(=O)C1
• Uses: 1,6-Dioxacyclododecane-7,12-dione, is on of the Macrocyclic compounds. It can be used in the preparation of other Symmetrical cyclic diesters and dilactones.

Technology Process of 1,6-Dioxacyclododecane-7,12-dione

There total 2 articles about 1,6-Dioxacyclododecane-7,12-dione 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:

Adipic acid (124-04-9) + Butane-1,4-diol (110-63-4) → 1,6-dioxa-cyclododecane-7,12-dione (777-95-7)

Guidance literature:

dibutyltin(II) dilaurate; Multistep reaction;

DOI:10.1016/0040-4020(95)00738-T

Reference yield:

→ 1,6-dioxa-cyclododecane-7,12-dione (777-95-7)

Guidance literature:

Adipinsaeure, Butan-1,4-diol, 1) Erhitzen bei Athmosphaerendruck auf 190grad, 2) Erhitzen bei 2 Torr auf 240grad, 3) Hinzufuegen von Zinn(II)-chlorid-dihydrat und erhitzen bei 1 Torr auf 325grad;

DOI:10.1039/jr9650000072

upstream raw materials:

Adipic acid

Butane-1,4-diol

Refernces