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Chemical Properties

CAS Registry Number: 76231-76-0

Selected information from two of the National Library of Medicine's databases: ChemIDPlus2 and HSDB3.

Names 1

  • (-)-alpha,beta-Thujone
  • Mixture Of Alpha & Beta Thujone
  • Thujone mixture

Structure

Chemical Structure for Chemical Abstracts Service Registry Number 76231-76-0 from NLM

Synonyms (Sources: NTP,HSDB,RTECS,MESH)2

  • HSDB 8144

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Other Registry Numbers2

  • None Found

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Chemical Properties3

Property Description
Boiling Point
  • 203 deg C
Color/Form
  • Colorless or almost colorless liquid
Corrosivity
  • None Found
Critical Temperature & Pressure
  • None Found
Density/Specific Gravity
  • Specific gravity: 0.915-0.919 at 20 deg C/20 deg C
Dissociation Constants
  • None Found
Heat Of Combustion
  • None Found
Heat Of Vaporization
  • None Found
Melting Point
  • None Found
Molecular Weight
  • 152.24
Odor
  • None Found
Other Chemical/Physical Properties
  • BP: 83.8 - 84.1 deg C at 17 mm Hg. Specific gravity: 0.9109 at 25 deg C/4 deg C. Index of refraction: 1.4490. Specific optical rotation: -19.2 deg at 20 deg C/D. /alpha-Thujone/
  • BP: 85.7 - 86.2 deg C at 17 mm Hg. Specific gravity: 0.9135 at 25 deg C/4 deg C. Index of refraction: 1.4500. Specific optical rotation: +72.5 deg at 15 deg C/D. /beta-Thujone/
  • Henry's Law constant = 1.58X10-5 atm-cu m/mol at 25 deg C (est)
  • Hydroxyl radical reaction rate constant = 5.12X10-12 cu cm/molec-sec at 25 deg C (est)
Relative Evaporation Rate
  • None Found
Solubilities
  • In water, 407 mg/L at 25 deg C (est)
  • Practically insoluble in water
  • Soluble in alcohol and many organic solvents
Spectral Properties
  • UV max (isooctane): 300 nm (epsilon = 23)
Surface Tension
  • None Found
Taste
  • None Found
Vapor Density
  • None Found
Vapor Pressure
  • 0.449 mm Hg at 25 deg C (est)
Viscosity
  • None Found
log P (octanol-water)
  • log Kow = 2.65 (est)
pH
  • None Found

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Uses3

  • Mosquitoes are important vectors of diseases to humans and domestic animals. Chemical control of vectors remains a main resource for the prevention and control of vector-borne diseases. Due to the development of insecticide resistance and risks to human health and the environment of synthetic compounds, the search for alternative pesticides is encouraged. This work assessed the insecticidal activity of essential oils (EOs) from Lippia turbinata and L. polystachya from Argentina on Culex quinquefasciatus mosquitoes. EOs were extracted by hydro-distillation and analyzed with gas-liquid chromatography and mass spectrometry. The insecticidal activity against mosquito larvae, pupae, and adults were evaluated according to World Health Organization protocols. Concentrations ranking from 10 to 160 ppm were assessed at 1, 2, 3, and 24 hr posttreatment. The composition of the EO of L. polystachya and L. turbinata were qualitatively similar, with alpha-thujone and carvone as main constituent; differences were mostly due to the proportion of each component. beta-Caryophyllene was also an important constituent of the EO of L. turbinata. Both EO were larvicidal at concentrations of 80 ppm or higher, but only L. turbinata was adulticidal. No pupal mortality was detected. The potential of these EOs for vector control is discussed. **PEER REVIEWED** PubMed Abstract
  • Solvent /Thujone/ **PEER REVIEWED**
  • Traditional medicine **PEER REVIEWED**

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Notes (Sources: NTP,HSDB,RTECS,MESH)2

  • None Found.

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Superlist Classes2

  • None Found

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Links to Additional Information2

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Footnotes

1 Source: the NTP's CEBS database.

2 Source: the National Library of Medicine's ChemIDPlus, 02/28/2017.

3 Source: the National Library of Medicine's Hazardous Substance Database, 02/28/2017.

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