Tabanone Chemical Properties

Boiling point:

289°C

Density 

0.968

vapor pressure 

11Pa at 25℃

FEMA 

4663 | 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE

Flash point:

124.8°C

storage temp. 

2-8°C

solubility 

DMSO: Soluble: =10 mg/ml
Ethanol: Soluble: =10 mg/ml
Methanol: Slightly Soluble: 0.1-1 mg/ml

Odor

at 100.00 %. sweet acorn nut skin tobacco spicy

Odor Type

tobacco

Water Solubility 

361mg/L at 20℃

JECFA Number

2057

InChI

InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3

InChIKey

CBQXHTWJSZXYSK-UHFFFAOYSA-N

SMILES

C1(=O)CC(C)(C)C(=CC=CC)C(C)=C1

LogP

3.11 at 22.7℃

Tabanone Usage And Synthesis

Chemical Properties

Tabanone is a slightly yellow to yellow liquid with a warm, dry, sweet, and tobacco-like odor.Thesubstance is predominantly used in tobacco flavors, but also to create powdery tobacco nuances in fragrances.
The material may be produced by dehydration of 3-oxo-??-ionol.

Uses

Tabanone is found in oils of Trifolium pratense L. and is a potential natural antioxidant.

Flammability and Explosibility

Not classified

Trade name

Tabanon (Symrise)

References

[1] FUJIMORI T, KASUGA R, KANEKO H, et al. Neutral Volatile Components of Burley Tobacco[C]//16 1. 1978: 0. DOI: 10.2478/cttr-2013-0950
[2] DAVIDE SLAGHENAUFI . Quantitative solid phase microextraction – Gas chromatography mass spectrometry analysis of five megastigmatrienone isomers in aged wine[J]. Analytica Chimica Acta, 2014, 813: Pages 63-69. DOI: 10.1016/j.aca.2014.01.019

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