3,3-Dimethylphthalide

CAS Registry Number®

1689-09-4

CAS Name

3,3-Dimethylphthalide

Molecular Formula

C10H10O2

Molecular Mass

162.19

Cite this Page

3,3-Dimethylphthalide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1689-09-4 (retrieved 2024-11-28) (CAS RN: 1689-09-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    96-97 °C @ Press: 0.1 Torr

  • Melting Point (2)

    68 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3

InChIKey

InChIKey=YFBZUWUJSCLVST-UHFFFAOYSA-N

SMILES

CC1(C)C=2C(C(=O)O1)=CC=CC2

Canonical SMILES

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

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3,3-dimethyl-
  • Phthalide, 3,3-dimethyl-
  • 3,3-Dimethyl-1(3H)-isobenzofuranone
  • 3,3-Dimethylphthalide
  • NSC 5114

View All

CAS INSIGHTSTM
Hourglass and a clock