Thymoquinone

CAS Registry Number®

490-91-5
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CAS Name

Thymoquinone

Molecular Formula

C10H12O2

Molecular Mass

164.20

Cite this Page

Thymoquinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=490-91-5 (retrieved 2024-04-16) (CAS RN: 490-91-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    232 °C
  • Melting Point (1)

    45.5 °C
  • Density (2)

    0.694 g/cm³ @ Temp: 45 °C; Press: 97508 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3

InChIKey

InChIKey=KEQHJBNSCLWCAE-UHFFFAOYSA-N

SMILES

C(C)(C)C=1C(=O)C=C(C)C(=O)C1

Canonical SMILES

O=C1C=C(C(=O)C=C1C)C(C)C

Other Names for this Substance

  • 2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-
  • p-Mentha-3,6-diene-2,5-dione
  • 2-Methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione
  • p-Cymene-2,5-dione
  • 2-Isopropyl-5-methylbenzoquinone

CAS INSIGHTSTM
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