A mixture of megastigmatrienone isomers
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Product Type

Biochemicals
Natural Products

Megastigmatrienone (mixed isomers)

Item No. 38754

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
4-(2-buten-1-ylidene)-3,5,5-trimethyl-2-cyclohexen-1-one
CAS Number
13215-88-8
Synonyms
  • Tabanone
Molecular Formula
C13H18O
Formula Weight
190.3
Formulation (Request formulation change)
A neat liquid
Solubility(Learn about Variance in Solubility)
DMSO: Soluble: ≥10 mg/mlEthanol: Soluble: ≥10 mg/mlMethanol: Slightly Soluble: 0.1-1 mg/ml
SMILES
O=C1CC(C)(C)C(C(C)=C1)=CC=CC
InChi Code
InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3
InChi Key
CBQXHTWJSZXYSK-UHFFFAOYSA-N
Origin
Synthetic
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    10 mg

    $28

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    50 mg

    $125

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    100 mg

    $180

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    Product Description

    Megastigmatrienone (mixed isomers) is a mixture of isomers of megastigmatrienone, a compound that has the aroma of tobacco.1 Isomers of megastigmatrienone have been found in tobacco and oak barrel-aged wine.1,2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Fujimori, T., Kasuga, R., Matsushita, H., et al. Neutral volatile components of burley tobacco. Agr. Biol. Chem. 40(2), 303-315 (1976).

    2. Slaghenaufi, D., Perello, M.-C., Marchand-Marion, S., et al. Quantitative solid phase microextraction--gas chromatography mass spectrometry analysis of five megastigmatrienone isomers in aged wine. Anal. Chim. Acta 813, 63-69 (2014).