Isocitral

CAS Registry Number®

1754-00-3
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CAS Name

Isocitral

Molecular Formula

C10H16O

Molecular Mass

152.23

Cite this Page

Isocitral.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1754-00-3 (retrieved 2024-09-15) (CAS RN: 1754-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    95-97 °C

  • Density (1)

    0.890 g/cm³ @ Temp: 15 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3

InChIKey

InChIKey=OJLMARCQPSGYNE-UHFFFAOYSA-N

SMILES

C(=CCC=C(C)C)(CC=O)C

Canonical SMILES

O=CCC(=CCC=C(C)C)C

Other Names for this Substance

  • 3,6-Octadienal, 3,7-dimethyl-
  • Isocitral
  • 3,7-Dimethyl-3,6-octadienal