4-Methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3′-bifuran]-5-yl]-2-pentanone

CAS Registry Number®

581-12-4
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CAS Name

4-Methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3′-bifuran]-5-yl]-2-pentanone

Molecular Formula

C15H22O3

Molecular Mass

250.33

Cite this Page

4-Methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3′-bifuran]-5-yl]-2-pentanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=581-12-4 (retrieved 2024-06-17) (CAS RN: 581-12-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    182-183 °C @ Press: 27 Torr

  • Density (1)

    1.0276 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15+/m0/s1

InChIKey

InChIKey=WOFDWNOSFDVCDF-LSDHHAIUSA-N

SMILES

C(C(CC(C)C)=O)[C@]1(C)O[C@@H](CC1)C=2C=COC2

Canonical SMILES

O=C(CC(C)C)CC1(OC(C2=COC=C2)CC1)C

Other Names for this Substance

  • 2-Pentanone, 4-methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3′-bifuran]-5-yl]-
  • 2-Pentanone, 1-[5-(3-furyl)tetrahydro-2-methyl-2-furyl]-4-methyl-, (2R,5S)-(-)-
  • 2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3′-bifuran]-5-yl)-, (2S-cis)-
  • Ngaione
  • 4-Methyl-1-[(2S,5R)-2,3,4,5-tetrahydro-5-methyl[2,3′-bifuran]-5-yl]-2-pentanone

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Deleted or Replaced CAS Registry Numbers

12770-41-1, 50884-35-0

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