3-Octanone

3-Octanone
Names
Preferred IUPAC name
Octan-3-one
Other names
Ethyl amyl ketone; n-Octanone-3; Amyl ethyl ketone; Ethyl pentyl ketone; Ethyl n-amyl ketone; Ethyl n-pentyl ketone
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.003.113
UNII
Properties
C8H16O
Molar mass 128.22 g·mol−1
Density 0.822 g/mL[1]
Boiling point 167 to 168 °C (333 to 334 °F; 440 to 441 K) [1]
insoluble in water[2]
Vapor pressure 2 mmHg (20° C)[2]
Hazards
Flash point 59 °C; 138 °F; 332 K
US health exposure limits (NIOSH):
PEL (Permissible)
 TWA 25 ppm (130 mg/m3)[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

3-Octanone is a natural ketone found in a variety of sources such as plants (such as lavender),[3] herbs (such as rosemary),[4] and fruits (such as nectarine).[5]

It is used as a flavor and fragrance ingredient.[6][7][8]

3-Octanone is a positional isomer of 2-octanone and 4-octanone.

It was also found to be present in schizonepeta tenuifolia (2011).[9]

References

  1. 1 2 "3-Octanone". Sigma-Aldrich.
  2. 1 2 3 "NIOSH Pocket Guide to Chemical Hazards #0418". National Institute for Occupational Safety and Health (NIOSH).
  3. ↑ Opdyke, D.L.J., ed. (1979). Monographs on Fragrance Raw Materials. New York: Pergamon Press. p. 346.
  4. ↑ Koedam, A.; et al. (1978). "Freshly Distilled Oil of the Leaves of Rasmarinus Officianalis L Contained 3-Octanone". Z. Naturforsch. C. 33C (1-2): 144.
  5. ↑ Takeoka GR; et al. (1988). "Nectarine volatiles: vacuum steam distillation versus headspace sampling". J Agric Food Chem. 36 (3): 553–560. doi:10.1021/jf00081a037.
  6. ↑ "3-octanone". thegoodscentscompany.com.
  7. ↑ Ashford RD (1994). Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd. p. 389.
  8. ↑ Code of Federal Regulations Title 21
  9. ↑ Yu, S; Chen, Y; Zhang, L; Shan, M; Tang, Y; Ding, A (2011). "Quantitative Comparative Analysis of the Bio-Active and Toxic Constituents of Leaves and Spikes of Schizonepeta tenuifolia at Different Harvesting Times". International Journal of Molecular Sciences. 12 (10): 6635–44. PMC 3210999 Freely accessible. PMID 22072908. doi:10.3390/ijms12106635.
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