(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate

CAS Registry Number®

849762-24-9

CAS Name

(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

(3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=849762-24-9 (retrieved 2024-11-25) (CAS RN: 849762-24-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    46-47 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c1-8(2)5-12(15)16-7-9-6-10(13)3-4-11(9)14/h3-4,6,8H,5,7H2,1-2H3

InChIKey

InChIKey=JVMUMZYOAWLJQW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1C=CC(=O)C(=C1)COC(=O)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (3,6-dioxo-1,4-cyclohexadien-1-yl)methyl ester
  • (3,6-Dioxo-1,4-cyclohexadien-1-yl)methyl 3-methylbutanoate
  • Blattellaquinone
  • Gentisylquinone isovalerate

CAS INSIGHTSTM
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