4-(3-Oxobutyl)phenyl 2-methylcrotonate

Base Information

• Chemical Name: 4-(3-Oxobutyl)phenyl 2-methylcrotonate
• CAS No.: 84812-72-6
• Molecular Formula: C15H18 O3
• Molecular Weight: 246.30162
• European Community (EC) Number: 284-216-2
• DSSTox Substance ID: DTXSID301186070
• Nikkaji Number: J309.476F
• Mol file: 84812-72-6.mol

Synonyms:4-(3-Oxobutyl)phenyl 2-methylcrotonate;84812-72-6;EINECS 284-216-2;DTXSID301186070;(E)-2-Methyl-2-butenoic acid 4-(3-oxobutyl)phenyl ester;2-Butenoic acid, 2-methyl-, 4-(3-oxobutyl)phenyl ester, (E)-

Chemical Property of 4-(3-Oxobutyl)phenyl 2-methylcrotonate

Chemical Property:

• Vapor Pressure: 9.6E-06mmHg at 25°C
• Boiling Point: 372.5°C at 760 mmHg
• Flash Point: 163.3°C
• PSA: 43.37000
• Density: 1.057g/cm³
• LogP: 3.07980
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 246.125594432
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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