Butylidenephthalide

551-08-6

CAS Name

Butylidenephthalide

Molecular Formula

C₁₂H₁₂O₂

Molecular Mass

188.22

Compound Properties

• Boiling Point (1)

  140 °C

• Melting Point (2)

  82-83 °C

• Density (1)

  1.0930 g/cm³ @ Temp: 20 °C

Source(s)

• (1) Noguchi, Takami; Yakugaku Zasshi, (1937), 57, 191-6, CAplus
• (2) Berlingozzi, S.; Gazzetta Chimica Italiana, (1927), 57, 255-64, CAplus

Other Names and Identifiers

InChI

InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3

InChIKey

InChIKey=WMBOCUXXNSOQHM-UHFFFAOYSA-N

SMILES

C(CCC)=C1C=2C(C(=O)O1)=CC=CC2

Canonical SMILES

O=C1OC(=CCCC)C=2C=CC=CC12

Other Names for this Substance