CAS |
55418-52-5 |
Structure |  |
Synonyms |
Dulcinyl |
IUPAC Name |
4-(1,3-Benzodioxol-5-yl)butan-2-one |
Molecular Weight |
192.21 |
Molecular Formula |
C11H12O3 |
Canonical SMILES |
CC(=O)CCC1=CC2=C(C=C1)OCO2 |
InChI |
InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3 |
InChI Key |
TZJLGGWGVLADDN-UHFFFAOYSA-N |
Boiling Point |
176 °C/17 mmHg(lit.) |
Melting Point |
49-54 °C(lit.) |
Flash Point |
>230 °F |
Purity |
98% |
Density |
1.175±0.06 g/cm³ |
Solubility |
Soluble in oils, insoluble in water |
Appearance |
Solid |
Storage |
4 °C |
Exact Mass |
192.078644241 |
Monoisotopic Mass |
192.078644241 |
Odor |
Intensely sweet, floral aroma |
Physical State |
Crystals |
Refractive Index |
1.52-1.522 |
Topological Polar Surface Area |
35.5 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.