2-Methyl-2-pentyl-1,3-benzodioxole

CAS Registry Number®

4436-30-0

CAS Name

2-Methyl-2-pentyl-1,3-benzodioxole

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

2-Methyl-2-pentyl-1,3-benzodioxole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4436-30-0 (retrieved 2024-10-04) (CAS RN: 4436-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    114-116 °C @ Press: 4.5 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-3-4-7-10-13(2)14-11-8-5-6-9-12(11)15-13/h5-6,8-9H,3-4,7,10H2,1-2H3

InChIKey

InChIKey=PELGNAVQBDNQGI-UHFFFAOYSA-N

SMILES

C(CCCC)C1(C)OC=2C(O1)=CC=CC2

Canonical SMILES

O1C=2C=CC=CC2OC1(C)CCCCC

Other Names for this Substance

  • 1,3-Benzodioxole, 2-methyl-2-pentyl-
  • Benzene, 1,2-(1-methylhexylidenedioxy)-
  • 2-Methyl-2-pentyl-1,3-benzodioxole
  • 2-Heptanone, cyclic o-phenylene acetal
  • NSC 27561

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