3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone

CAS Registry Number®

6415-59-4
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CAS Name

3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone

Molecular Formula

C12H18O2

Molecular Mass

194.27

Cite this Page

3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6415-59-4 (retrieved 2024-04-26) (CAS RN: 6415-59-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3

InChIKey

InChIKey=UPJFTVFLSIQQAV-UHFFFAOYSA-N

SMILES

C(CCC)C1C2C(C(=O)O1)=CCCC2

Canonical SMILES

O=C1OC(CCCC)C2C1=CCCC2

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-
  • Sedanolide
  • 3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
  • Phthalide, 3-butyl-3a,4,5,6-tetrahydro-
  • 3-Butyl-3a,4,5,6-tetrahydrophthalide

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Deleted or Replaced CAS Registry Numbers

3861-62-9

CAS INSIGHTSTM
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