2,5,8,11-Tetramethyldodec-6-yne-5,8-diol

Base Information

• Chemical Name: 2,5,8,11-Tetramethyldodec-6-yne-5,8-diol
• CAS No.: 68227-33-8
• Deprecated CAS: 107508-57-6
• Molecular Formula: C16H30O2
• Molecular Weight: 254.41
• European Community (EC) Number: 269-348-0
• DSSTox Substance ID: DTXSID1052402
• Nikkaji Number: J317.437I
• Mol file: 68227-33-8.mol

Synonyms:68227-33-8;2,5,8,11-Tetramethyldodec-6-yne-5,8-diol;2,5,8,11-Tetramethyl-6-dodecyne-5,8-diol;2,5,8,11-Tetramethyl-6-dodecyn-5,8-diol;6-Dodecyne-5,8-diol,2,5,8,11-tetramethyl-;EINECS 269-348-0;6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-;EC 269-348-0;SCHEMBL125579;DTXSID1052402;MFCD03701672;J-660012;W-104685

Chemical Property of 2,5,8,11-Tetramethyldodec-6-yne-5,8-diol

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Refractive Index: 1.479
• Boiling Point: 268.5 °C at 760 mmHg
• PKA: 12.90±0.29(Predicted)
• Flash Point: 100.6 °C
• PSA: 40.46000
• Density: 0.935 g/cm³
• LogP: 3.36420
• Water Solubility.: 92.9mg/L at 20℃
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 254.224580195
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

99.9% ^*data from raw suppliers

2,5,8,11-TETRAMETHYL-6-DODECYN-5,8-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(C)(C#CC(C)(CCC(C)C)O)O
• Uses: 2,5,8,11-Tetramethyl-6-dodecyne-5,8-diol can be used as printing apparatus.