Butyrolactol A

Base Information

• Chemical Name: Butyrolactol A
• CAS No.: 145144-32-7
• Molecular Formula: C28H46 O9
• Molecular Weight: 526.66
• DSSTox Substance ID: DTXSID901336340
• Nikkaji Number: J493.003G
• Wikipedia: Butyrolactol_A
• Mol file: 145144-32-7.mol

Synonyms:butyrolactol A;butyrolactol-A

Chemical Property of Butyrolactol A

Chemical Property:

• Vapor Pressure: 8.17E-26mmHg at 25°C
• Boiling Point: 747.9°Cat760mmHg
• Flash Point: 239°C
• PSA: 167.91000
• Density: 1.216g/cm³
• LogP: 1.29560
• XLogP3: 3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 526.31418304
• Heavy Atom Count: 37
• Complexity: 783

Purity/Quality:

BUTYROLACTOL A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=CC=CCCC=CC=CCCC(C)(C)C)C(C(C(C(C(C1C(C(C(=O)O1)O)O)O)O)O)O)O
• Isomeric SMILES: CC(C/C=C/C=C/CC/C=C\C=C\CCC(C)(C)C)C(C(C(C(C(C1C(C(C(=O)O1)O)O)O)O)O)O)O