(E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate

Base Information

• Chemical Name: (E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate
• CAS No.: 76236-22-1
• Molecular Formula: C15H20 O3
• Molecular Weight: 248.3175
• European Community (EC) Number: 278-396-1
• DSSTox Substance ID: DTXSID901159655
• Nikkaji Number: J319.294F
• Mol file: 76236-22-1.mol

Synonyms:76236-22-1;EINECS 278-396-1;(E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate;YRKHQDBXYJCJLO-FNORWQNLSA-N;DTXSID901159655;NS00059883;Butanoic acid, 2-methyl-, 2-methoxy-4-(1-propenyl)phenyl ester, (E)-

Chemical Property of (E)-2-Methoxy-4-(1-propenyl)phenyl 2-methylbutyrate

Chemical Property:

• Vapor Pressure: 6.88E-05mmHg at 25°C
• Boiling Point: 343.8°C at 760 mmHg
• Flash Point: 142.6°C
• PSA: 35.53000
• Density: 1.032g/cm³
• LogP: 3.67980
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1=C(C=C(C=C1)C=CC)OC
• Isomeric SMILES: CCC(C)C(=O)OC1=C(C=C(C=C1)/C=C/C)OC

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