Butylidenephthalide

CAS Registry Number®

551-08-6

CAS Name

Butylidenephthalide

Molecular Formula

C12H12O2

Molecular Mass

188.22

Cite this Page

Butylidenephthalide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=551-08-6 (retrieved 2025-03-30) (CAS RN: 551-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    125 °C @ Press: 15 Torr

  • Melting Point (2)

    82-83 °C

  • Density (3)

    1.0930 g/cm³ @ Temp: 20 °C

Source(s)

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

  • 1(3H)-Isobenzofuranone, 3-butylidene-
  • Phthalide, 3-butylidene-
  • 3-Butylidene-1(3H)-isobenzofuranone
  • Butylidenephthalide
  • 3-Butylidenephthalide

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