Butopyronoxyl

CAS Registry Number®

532-34-3

CAS Name

Butopyronoxyl

Molecular Formula

C12H18O4

Molecular Mass

226.27

Cite this Page

Butopyronoxyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=532-34-3 (retrieved 2024-11-24) (CAS RN: 532-34-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    256-270 °C @ Press: 760 Torr

  • Melting Point (2)

    <25 °C

  • Density (1)

    1.052-1.060 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H18O4/c1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h7H,4-6,8H2,1-3H3

InChIKey

InChIKey=OKIJSNGRQAOIGZ-UHFFFAOYSA-N

SMILES

C(OCCCC)(=O)C=1OC(C)(C)CC(=O)C1

Canonical SMILES

O=C(OCCCC)C=1OC(C)(C)CC(=O)C1

Other Names for this Substance

  • 2H-Pyran-6-carboxylic acid, 3,4-dihydro-2,2-dimethyl-4-oxo-, butyl ester
  • Butopyronoxyl
  • Butyl 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylate
  • n-Butyl ester of 3,4-dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
  • 2-Carbo-n-butoxy-6,6-dimethyl-5,6-dihydro-1,4-pyrone

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Deleted or Replaced CAS Registry Numbers

1341-44-2, 8039-36-9

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