3-Methyl-3-butenyl butanoate

Base Information

• Chemical Name: 3-Methyl-3-butenyl butanoate
• CAS No.: 54702-13-5
• Molecular Formula: C9H16O2
• Molecular Weight: 156.22
• UNII: E24U5Z23L8
• DSSTox Substance ID: DTXSID00423912
• Nikkaji Number: J613.792J
• Wikidata: Q82236245
• Mol file: 54702-13-5.mol

Synonyms:3-methyl-3-butenyl butanoate;3-methylbut-3-enyl butanoate;54702-13-5;3-Methylbut-3-en-1-yl butyrate;E24U5Z23L8;Butanoic acid, 3-methyl-3-butenyl ester;UNII-E24U5Z23L8;Butanoic acid, 3-methyl-3-buten-1-yl ester;3-Methyl-3-butenylbutanoate;3-methyl-3-butenyl butyrate;SCHEMBL3504003;DTXSID00423912;QXWHISNFDZLFAV-UHFFFAOYSA-N;3-methyl-but-3-en-1-yl butanoate

Chemical Property of 3-Methyl-3-butenyl butanoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.29590
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCCC(=C)C