1,5-Cyclooctanedione

Base Information

• Chemical Name: 1,5-Cyclooctanedione
• CAS No.: 1489-74-3
• Molecular Formula: C8H12 O2
• Molecular Weight: 140.182
• Hs Code.: 2914299000
• European Community (EC) Number: 633-968-3
• NSC Number: 134499
• UNII: 7UP2M7JM3T
• DSSTox Substance ID: DTXSID60933502
• Nikkaji Number: J260.371C
• Wikidata: Q82909321
• Mol file: 1489-74-3.mol

Synonyms:cyclooctane-1,5-dione;1,5-Cyclooctanedione;1489-74-3;NSC-134499;7UP2M7JM3T;NSC134499;UNII-7UP2M7JM3T;SCHEMBL1566729;DTXSID60933502;HNIJGYLFFVBUNQ-UHFFFAOYSA-N;AKOS024318969;CS-0337154

Chemical Property of 1,5-Cyclooctanedione

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Boiling Point: 260.7°Cat760mmHg
• Flash Point: 96.3°C
• PSA: 34.14000
• Density: 1.038g/cm³
• LogP: 1.47880
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Cyclooctane-1,5-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CCCC(=O)C1