Catalog |
ACM103617 |
CAS |
103-61-7 |
Structure | |
Synonyms |
Phenylpropenyl n-butyrate |
IUPAC Name |
[(E)-3-Phenylprop-2-enyl] butanoate |
Molecular Weight |
204.26 |
Molecular Formula |
C13H16O2 |
Canonical SMILES |
CCCC(=O)OCC=CC1=CC=CC=C1 |
InChI |
InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+ |
InChI Key |
YZYPQKZWNXANRB-UXBLZVDNSA-N |
Boiling Point |
300 °C |
Flash Point |
>230 °F |
Purity |
98%+ |
Density |
1.013 g/mL at 25 °C(lit.) |
Exact Mass |
204.115029749 |
Isomeric SMILES |
CCCC(=O)OC/C=C/C1=CC=CC=C1 |
Monoisotopic Mass |
204.115029749 |
Physical State |
Liquid |
Refractive Index |
n20/D 1.526(lit.) |
Topological Polar Surface Area |
26.3 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.